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149047-29-0 | 1H-Imidazole-1-carboxamide, N-[(4-methoxyphenyl)methyl]-
CAS No: 149047-29-0 Catalog No: AG007JB9 MDL No:MFCD09802164
Product Description
Catalog Number:
AG007JB9
Chemical Name:
1H-Imidazole-1-carboxamide, N-[(4-methoxyphenyl)methyl]-
CAS Number:
149047-29-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD09802164
IUPAC Name:
N-[(4-methoxyphenyl)methyl]imidazole-1-carboxamide
InChI:
InChI=1S/C12H13N3O2/c1-17-11-4-2-10(3-5-11)8-14-12(16)15-7-6-13-9-15/h2-7,9H,8H2,1H3,(H,14,16)
InChI Key:
OYRPBUZDWZNIIT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)n1cncc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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