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113662-47-8 | Benzoic acid, 4-acetyl-2-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 113662-47-8 Catalog No: AG00098L MDL No:
Product Description
Catalog Number:
AG00098L
Chemical Name:
Benzoic acid, 4-acetyl-2-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
113662-47-8
Molecular Formula:
C13H11NO6
Molecular Weight:
277.2295
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-acetyl-2-hydroxybenzoate
InChI:
InChI=1S/C13H11NO6/c1-7(15)8-2-3-9(10(16)6-8)13(19)20-14-11(17)4-5-12(14)18/h2-3,6,16H,4-5H2,1H3
InChI Key:
VCLSZAFDKWVGPT-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1OC(=O)c1ccc(cc1O)C(=O)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.232g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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