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10264-55-8 | Cyclopentanone, 3-ethyl-
CAS No: 10264-55-8 Catalog No: AG00080Q MDL No:MFCD00045445
Product Description
Catalog Number:
AG00080Q
Chemical Name:
Cyclopentanone, 3-ethyl-
CAS Number:
10264-55-8
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00045445
IUPAC Name:
3-ethylcyclopentan-1-one
InChI:
InChI=1S/C7H12O/c1-2-6-3-4-7(8)5-6/h6H,2-5H2,1H3
InChI Key:
XERALSLWOPMNRJ-UHFFFAOYSA-N
SMILES:
CCC1CCC(=O)C1
Properties
Complexity:
96.6
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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