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16856-72-7 | Cyclopentanone, 2-(2-methylpropylidene)-
CAS No: 16856-72-7 Catalog No: AG001Y5O MDL No:
Product Description
Catalog Number:
AG001Y5O
Chemical Name:
Cyclopentanone, 2-(2-methylpropylidene)-
CAS Number:
16856-72-7
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
2-(2-methylpropylidene)cyclopentan-1-one
InChI:
InChI=1S/C9H14O/c1-7(2)6-8-4-3-5-9(8)10/h6-7H,3-5H2,1-2H3
InChI Key:
GSSRLAIHCZNDAA-UHFFFAOYSA-N
SMILES:
CC(C=C1CCCC1=O)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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