5-Phenylbicyclo[2.2.1]hept-2-ene
PubChem CID
138674
Structure
Molecular Formula
Synonyms
- 5-Phenylbicyclo[2.2.1]hept-2-ene
- 6143-30-2
- 5-Norbornene-2-phenyl
- 5-Phenylbicyclo(2.2.1)-2-heptene
- 5-phenyl-2-norbornene
Molecular Weight
170.25 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
5-phenylbicyclo[2.2.1]hept-2-ene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H14/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PGNNHYNYFLXKDZ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1C2CC(C1C=C2)C3=CC=CC=C3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H14
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6143-30-2
Compound: Bicyclo[2.2.1]hept-2-ene, 5-phenyl-, homopolymer
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
170.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
170.109550447 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
170.109550447 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
210
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
3
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
114668
Library
Main library
Total Peaks
58
m/z Top Peak
104
m/z 2nd Highest
66
m/z 3rd Highest
78
Thumbnail
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Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PGNNHYNYFLXKDZ-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Bicyclo[2.2.1]hept-2-ene, 5-phenyl-, homopolymerhttps://commonchemistry.cas.org/detail?cas_rn=30421-34-2
- ChemIDplus5-Phenylbicyclo(2.2.1)-2-heptenehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006143302ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox5-Phenylbicyclo[2.2.1]hept-2-enehttps://comptox.epa.gov/dashboard/DTXSID90976987
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law5-Phenylbicyclo[2.2.1]hept-2-enehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-phenyl-2-norbornenehttps://spectrabase.com/spectrum/L4Vw6UxTchp2-phenyl-2-norbornenehttps://spectrabase.com/spectrum/18fvO1LXw4P
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata5-Phenyl-2-norbornenehttps://www.wikidata.org/wiki/Q72497983
- PubChem
- PATENTSCOPE (WIPO)SID 403465465https://pubchem.ncbi.nlm.nih.gov/substance/403465465
CONTENTS