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Home > Imidazoles > 952200-97-4
952200-97-4 | 2-cyclopentanecarbonyl-1H-imidazole
CAS No: 952200-97-4 Catalog No: AG01AC18 MDL No:MFCD14583672
Product Description
Catalog Number:
AG01AC18
Chemical Name:
2-cyclopentanecarbonyl-1H-imidazole
CAS Number:
952200-97-4
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD14583672
IUPAC Name:
cyclopentyl(1H-imidazol-2-yl)methanone
InChI:
InChI=1S/C9H12N2O/c12-8(7-3-1-2-4-7)9-10-5-6-11-9/h5-7H,1-4H2,(H,10,11)
InChI Key:
GAKYCHBMOLUYEJ-UHFFFAOYSA-N
SMILES:
O=C(c1ncc[nH]1)C1CCCC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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