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122222-10-0 | 1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-, methyl ester
CAS No: 122222-10-0 Catalog No: AG0016YR MDL No:MFCD13174878
Product Description
Catalog Number:
AG0016YR
Chemical Name:
1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-, methyl ester
CAS Number:
122222-10-0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD13174878
IUPAC Name:
methyl 2,3-dimethylimidazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O2/c1-5-8-4-6(9(5)2)7(10)11-3/h4H,1-3H3
InChI Key:
NEAPSSOEZDVWBV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(n1C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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