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23428-37-7 | Benzoic acid, 2-[[2-(acetyloxy)benzoyl]amino]-
CAS No: 23428-37-7 Catalog No: AG002N78 MDL No:
Product Description
Catalog Number:
AG002N78
Chemical Name:
Benzoic acid, 2-[[2-(acetyloxy)benzoyl]amino]-
CAS Number:
23428-37-7
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
2-[(2-acetyloxybenzoyl)amino]benzoic acid
InChI:
InChI=1S/C16H13NO5/c1-10(18)22-14-9-5-3-7-12(14)15(19)17-13-8-4-2-6-11(13)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChI Key:
QHJDWOYXAORMPL-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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