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13243-99-7 | Benzoic acid, 5-[(1,3-dioxobutyl)amino]-2-hydroxy-
CAS No: 13243-99-7 Catalog No: AG0010OP MDL No:
Product Description
Catalog Number:
AG0010OP
Chemical Name:
Benzoic acid, 5-[(1,3-dioxobutyl)amino]-2-hydroxy-
CAS Number:
13243-99-7
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
IUPAC Name:
2-hydroxy-5-(3-oxobutanoylamino)benzoic acid
InChI:
InChI=1S/C11H11NO5/c1-6(13)4-10(15)12-7-2-3-9(14)8(5-7)11(16)17/h2-3,5,14H,4H2,1H3,(H,12,15)(H,16,17)
InChI Key:
GZUCOCDWGQMOKH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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