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92533-24-9 | Benzoic acid, 2-(2-benzoxazolyl)-, methyl ester
CAS No: 92533-24-9 Catalog No: AG006H3Z MDL No:
Product Description
Catalog Number:
AG006H3Z
Chemical Name:
Benzoic acid, 2-(2-benzoxazolyl)-, methyl ester
CAS Number:
92533-24-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
methyl 2-(1,3-benzoxazol-2-yl)benzoate
InChI:
InChI=1S/C15H11NO3/c1-18-15(17)11-7-3-2-6-10(11)14-16-12-8-4-5-9-13(12)19-14/h2-9H,1H3
InChI Key:
PHKPCKWEJMZZIF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1nc2c(o1)cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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