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87836-37-1 | Methyl 6-methyl-1H-benzo[d]imidazole-2-carboxylate
CAS No: 87836-37-1 Catalog No: AG004JNH MDL No:MFCD06738304
Product Description
Catalog Number:
AG004JNH
Chemical Name:
Methyl 6-methyl-1H-benzo[d]imidazole-2-carboxylate
CAS Number:
87836-37-1
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD06738304
IUPAC Name:
methyl 6-methyl-1H-benzimidazole-2-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-6-3-4-7-8(5-6)12-9(11-7)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
ZJPXKSQYIZRJIJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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