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14845-37-5 | Cyclopentanone, 2,3-dimethyl-
CAS No: 14845-37-5 Catalog No: AG001KY2 MDL No:
Product Description
Catalog Number:
AG001KY2
Chemical Name:
Cyclopentanone, 2,3-dimethyl-
CAS Number:
14845-37-5
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
2,3-dimethylcyclopentan-1-one
InChI:
InChI=1S/C7H12O/c1-5-3-4-7(8)6(5)2/h5-6H,3-4H2,1-2H3
InChI Key:
NHHSVMBOTBXSFH-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)C1C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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