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100246-04-6 | 4-Benzoxazolecarboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS No: 100246-04-6 Catalog No: AG0001DH MDL No:MFCD11111730
Product Description
Catalog Number:
AG0001DH
Chemical Name:
4-Benzoxazolecarboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS Number:
100246-04-6
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD11111730
IUPAC Name:
methyl 2-oxo-3H-1,3-benzoxazole-4-carboxylate
InChI:
InChI=1S/C9H7NO4/c1-13-8(11)5-3-2-4-6-7(5)10-9(12)14-6/h2-4H,1H3,(H,10,12)
InChI Key:
KSQNEWWVQONQCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1[nH]c(=O)o2
Properties
Complexity:
266
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:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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