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158788-56-8 | Benzoic acid, 4-hydroxy-3,5-dimethyl-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 158788-56-8 Catalog No: AG001QVJ MDL No:
Product Description
Catalog Number:
AG001QVJ
Chemical Name:
Benzoic acid, 4-hydroxy-3,5-dimethyl-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
158788-56-8
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-hydroxy-3,5-dimethylbenzoate
InChI:
InChI=1S/C13H13NO5/c1-7-5-9(6-8(2)12(7)17)13(18)19-14-10(15)3-4-11(14)16/h5-6,17H,3-4H2,1-2H3
InChI Key:
BDNWJMZEWIQHIP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(c(c1)C)O)ON1C(=O)CCC1=O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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