Home Other Building Blocks (R)-(+)-3-Methylcyclohexanone

(R)-(+)-3-Methylcyclohexanone

CAS No.:
13368-65-5
Catalog Number:
AG003C5L
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG003C5L
Chemical Name:
(R)-(+)-3-Methylcyclohexanone
CAS Number:
13368-65-5
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00062999
IUPAC Name:
(3R)-3-methylcyclohexan-1-one
InChI:
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChI Key:
UJBOOUHRTQVGRU-ZCFIWIBFSA-N
SMILES:
C[C@@H]1CCCC(=O)C1
EC Number:
236-438-6
UNII:
72794G6S5C
Properties
Complexity:
96.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
1.4  
Literature
Title Journal
Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions. The Journal of chemical physics 20040315
Properties