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20000-55-9 | Benzoic acid, 3-(2-benzoxazolyl)-, methyl ester
CAS No: 20000-55-9 Catalog No: AG00I3PX MDL No:
Product Description
Catalog Number:
AG00I3PX
Chemical Name:
Benzoic acid, 3-(2-benzoxazolyl)-, methyl ester
CAS Number:
20000-55-9
IUPAC Name:
methyl 3-(1,3-benzoxazol-2-yl)benzoate
InChI:
InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-5-10(9-11)14-16-12-7-2-3-8-13(12)19-14/h2-9H,1H3
InChI Key:
ULHJVBFZZYKZDP-UHFFFAOYSA-N
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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