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20500-49-6 | Cyclopentanone, 3,3-dimethyl-
CAS No: 20500-49-6 Catalog No: AG0029TS MDL No:MFCD18917067
Product Description
Catalog Number:
AG0029TS
Chemical Name:
Cyclopentanone, 3,3-dimethyl-
CAS Number:
20500-49-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD18917067
IUPAC Name:
3,3-dimethylcyclopentan-1-one
InChI:
InChI=1S/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H3
InChI Key:
JSYAQLZSGHPSJD-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)(C)C
Properties
Complexity:
114
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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