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2890-62-2 | 1-(1-Methylcyclohexyl)ethanone
CAS No: 2890-62-2 Catalog No: AG0032I9 MDL No:MFCD22414398
Product Description
Catalog Number:
AG0032I9
Chemical Name:
1-(1-Methylcyclohexyl)ethanone
CAS Number:
2890-62-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD22414398
IUPAC Name:
1-(1-methylcyclohexyl)ethanone
InChI:
InChI=1S/C9H16O/c1-8(10)9(2)6-4-3-5-7-9/h3-7H2,1-2H3
InChI Key:
UBMBCDFRVPGSSQ-UHFFFAOYSA-N
SMILES:
CC(=O)C1(C)CCCCC1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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