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1305711-40-3 | 6-Benzoxazolecarboxylic acid, methyl ester
CAS No: 1305711-40-3 Catalog No: AG000UNN MDL No:MFCD14635902
Product Description
Catalog Number:
AG000UNN
Chemical Name:
6-Benzoxazolecarboxylic acid, methyl ester
CAS Number:
1305711-40-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD14635902
IUPAC Name:
methyl 1,3-benzoxazole-6-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3
InChI Key:
QIZBJGJDALUIEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ocn2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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