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15112-41-1 | 5-Benzoxazolecarboxylic acid
CAS No: 15112-41-1 Catalog No: AG001N45 MDL No:MFCD09954950
Product Description
Catalog Number:
AG001N45
Chemical Name:
5-Benzoxazolecarboxylic acid
CAS Number:
15112-41-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD09954950
IUPAC Name:
1,3-benzoxazole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO3/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)
InChI Key:
WJBOXEGAWJHKIM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nco2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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