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Home > Imidazoles > 1185295-65-1
1185295-65-1 | 3-Imidazol-1-yl-butyric acid hydrochloride
CAS No: 1185295-65-1 Catalog No: AG01A0VH MDL No:MFCD11506416
Product Description
Catalog Number:
AG01A0VH
Chemical Name:
3-Imidazol-1-yl-butyric acid hydrochloride
CAS Number:
1185295-65-1
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD11506416
IUPAC Name:
3-imidazol-1-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C7H10N2O2.ClH/c1-6(4-7(10)11)9-3-2-8-5-9;/h2-3,5-6H,4H2,1H3,(H,10,11);1H
InChI Key:
JSPQQHJVBPBACD-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cncc1)C.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.627g/mol
Monoisotopic Mass:
190.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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