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676168-65-3 | Benzoic acid, 4,5-dimethoxy-2-[(phenylmethyl)amino]-
CAS No: 676168-65-3 Catalog No: AG005LL4 MDL No:
Product Description
Catalog Number:
AG005LL4
Chemical Name:
Benzoic acid, 4,5-dimethoxy-2-[(phenylmethyl)amino]-
CAS Number:
676168-65-3
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
2-(benzylamino)-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C16H17NO4/c1-20-14-8-12(16(18)19)13(9-15(14)21-2)17-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H,18,19)
InChI Key:
QJSORGMFQXIYTK-UHFFFAOYSA-N
SMILES:
COc1cc(NCc2ccccc2)c(cc1OC)C(=O)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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