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101509-46-0 | Benzoic acid, 2-[[(5-carboxypentyl)amino]carbonyl]-
CAS No: 101509-46-0 Catalog No: AG0004OI MDL No:
Product Description
Catalog Number:
AG0004OI
Chemical Name:
Benzoic acid, 2-[[(5-carboxypentyl)amino]carbonyl]-
CAS Number:
101509-46-0
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
2-(5-carboxypentylcarbamoyl)benzoic acid
InChI:
InChI=1S/C14H17NO5/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(19)20/h3-4,6-7H,1-2,5,8-9H2,(H,15,18)(H,16,17)(H,19,20)
InChI Key:
ZVHJNZNGLOEHMJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNC(=O)c1ccccc1C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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