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116802-67-6 | 2-[(1H-imidazol-1-yl)methyl]cyclopentan-1-one
CAS No: 116802-67-6 Catalog No: AG00KS0T MDL No:MFCD12028201
Product Description
Catalog Number:
AG00KS0T
Chemical Name:
2-[(1H-imidazol-1-yl)methyl]cyclopentan-1-one
CAS Number:
116802-67-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD12028201
IUPAC Name:
2-(imidazol-1-ylmethyl)cyclopentan-1-one
InChI:
InChI=1S/C9H12N2O/c12-9-3-1-2-8(9)6-11-5-4-10-7-11/h4-5,7-8H,1-3,6H2
InChI Key:
CICLEAQGTCBUDR-UHFFFAOYSA-N
SMILES:
O=C1CCCC1Cn1cncc1
Properties
Complexity:
181
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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