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6935-15-5 | 4-{[(benzyloxy)carbonyl]amino}-2-hydroxybenzoic acid
CAS No: 6935-15-5 Catalog No: AG005NQT MDL No:
Product Description
Catalog Number:
AG005NQT
Chemical Name:
4-{[(benzyloxy)carbonyl]amino}-2-hydroxybenzoic acid
CAS Number:
6935-15-5
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
2-hydroxy-4-(phenylmethoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C15H13NO5/c17-13-8-11(6-7-12(13)14(18)19)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19)
InChI Key:
YCGSSGSFSHXDCV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)O)C(=O)O)OCc1ccccc1
NSC Number:
58599
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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