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136663-21-3 | 5-Benzoxazolecarboxylic acid, 2-methyl-, methyl ester
CAS No: 136663-21-3 Catalog No: AG00126E MDL No:MFCD07774245
Product Description
Catalog Number:
AG00126E
Chemical Name:
5-Benzoxazolecarboxylic acid, 2-methyl-, methyl ester
CAS Number:
136663-21-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD07774245
IUPAC Name:
methyl 2-methyl-1,3-benzoxazole-5-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-6-11-8-5-7(10(12)13-2)3-4-9(8)14-6/h3-5H,1-2H3
InChI Key:
UFLDNRAXHGPDOD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc(o2)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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