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189329-86-0 | 2-Methyl-1,3-benzoxazole-5-carboxamide
CAS No: 189329-86-0 Catalog No: AG01FCTC MDL No:
Product Description
Catalog Number:
AG01FCTC
Chemical Name:
2-Methyl-1,3-benzoxazole-5-carboxamide
CAS Number:
189329-86-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
2-methyl-1,3-benzoxazole-5-carboxamide
InChI:
InChI=1S/C9H8N2O2/c1-5-11-7-4-6(9(10)12)2-3-8(7)13-5/h2-4H,1H3,(H2,10,12)
InChI Key:
SKAUCTDYXPLNSK-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)cc(cc2)C(=O)N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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