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127607-71-0 | 1H-Imidazole-5-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS No: 127607-71-0 Catalog No: AG000X8H MDL No:MFCD18072792
Product Description
Catalog Number:
AG000X8H
Chemical Name:
1H-Imidazole-5-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
127607-71-0
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
MDL Number:
MFCD18072792
IUPAC Name:
methyl 1H-imidazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C5H6N2O2.ClH/c1-9-5(8)4-2-6-3-7-4;/h2-3H,1H3,(H,6,7);1H
InChI Key:
SRBHRZLXUXMYCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc[nH]1.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.573g/mol
Monoisotopic Mass:
162.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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