CID 25733180
PubChem CID
25733180
Structure
Molecular Formula
Status
Non-live
Molecular Weight
314.31 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
InChI=1S/C17H17NO5/c1-11-3-4-12(17(20)21)9-15(11)18-16(19)10-23-14-7-5-13(22-2)6-8-14/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1
HVWCHBRHAUPHGX-UHFFFAOYSA-M
CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)COC2=CC=C(C=C2)OC
C17H16NO5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
314.31 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
314.10284761 g/mol
Property Name
Monoisotopic Mass
Property Value
314.10284761 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.7 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
400
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS