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14845-55-7 | Cyclopentanone, 2-(1-methylethyl)-
CAS No: 14845-55-7 Catalog No: AG001KXZ MDL No:MFCD10566391
Product Description
Catalog Number:
AG001KXZ
Chemical Name:
Cyclopentanone, 2-(1-methylethyl)-
CAS Number:
14845-55-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD10566391
IUPAC Name:
2-propan-2-ylcyclopentan-1-one
InChI:
InChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h6-7H,3-5H2,1-2H3
InChI Key:
RKZBBVUTJFJAJR-UHFFFAOYSA-N
SMILES:
CC(C1CCCC1=O)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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