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Home > Imidazoles > 1158457-23-8
1158457-23-8 | 1-(1H-imidazol-1-yl)acetone hydrochloride
CAS No: 1158457-23-8 Catalog No: AG00J1RR MDL No:MFCD11696397
Product Description
Catalog Number:
AG00J1RR
Chemical Name:
1-(1H-imidazol-1-yl)acetone hydrochloride
CAS Number:
1158457-23-8
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
MDL Number:
MFCD11696397
IUPAC Name:
1-imidazol-1-ylpropan-2-one;hydrochloride
InChI:
InChI=1S/C6H8N2O.ClH/c1-6(9)4-8-3-2-7-5-8;/h2-3,5H,4H2,1H3;1H
InChI Key:
ZMLZOMOQPWMJQW-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1cncc1.Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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