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Home > Imidazoles > 65660-47-1
65660-47-1 | 2-Pentanone, 5-(1H-imidazol-1-yl)-
CAS No: 65660-47-1 Catalog No: AG006PVG MDL No:
Product Description
Catalog Number:
AG006PVG
Chemical Name:
2-Pentanone, 5-(1H-imidazol-1-yl)-
CAS Number:
65660-47-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
5-imidazol-1-ylpentan-2-one
InChI:
InChI=1S/C8H12N2O/c1-8(11)3-2-5-10-6-4-9-7-10/h4,6-7H,2-3,5H2,1H3
InChI Key:
NQRGMYCLLGSBTI-UHFFFAOYSA-N
SMILES:
CC(=O)CCCn1cncc1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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