Benzo[b]selenophene-3-carboxaldehyde, 2-methyl-
PubChem CID
575610
Structure
Molecular Formula
Synonyms
- Benzo[b]selenophene-3-carboxaldehyde, 2-methyl-
- YQVJVZMNEGSFFN-UHFFFAOYSA-N
- 2-Methyl-1-benzoselenophene-3-carbaldehyde #
Molecular Weight
223.14 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2024-12-14
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
2-methyl-1-benzoselenophene-3-carbaldehyde
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C10H8OSe/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
YQVJVZMNEGSFFN-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1=C(C2=CC=CC=C2[Se]1)C=O
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C10H8OSe
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
223.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
223.97404 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
223.97404 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
17.1Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
181
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
0
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)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- 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-lawBenzo[b]selenophene-3-carboxaldehyde, 2-methyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseBenzo[b]selenophene-3-carboxaldehyde, 2-methyl-https://spectrabase.com/spectrum/Jb9xkpx7DkuBenzo[b]selenophene-3-carboxaldehyde, 2-methyl-https://spectrabase.com/spectrum/JF1KCAE6NZg
- PubChem
CONTENTS