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140934-94-7 | 6-Benzoxazolecarboxylic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS No: 140934-94-7 Catalog No: AG001FNR MDL No:
Product Description
Catalog Number:
AG001FNR
Chemical Name:
6-Benzoxazolecarboxylic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS Number:
140934-94-7
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
3-methyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c1-10-6-3-2-5(8(11)12)4-7(6)14-9(10)13/h2-4H,1H3,(H,11,12)
InChI Key:
GDYGHBVAKDATHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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