Home Other Building Blocks 4-methylcycloheptan-1-one

4-methylcycloheptan-1-one

CAS No.:
5452-36-8
Catalog Number:
AG01AKYS
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG01AKYS
Chemical Name:
4-methylcycloheptan-1-one
CAS Number:
5452-36-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD24394757
IUPAC Name:
4-methylcycloheptan-1-one
InChI:
InChI=1S/C8H14O/c1-7-3-2-4-8(9)6-5-7/h7H,2-6H2,1H3
InChI Key:
WXVNSHRGPVHBPD-UHFFFAOYSA-N
SMILES:
CC1CCCC(=O)CC1
NSC Number:
18963
Properties
Complexity:
107  
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Solvolysis of 4-methylcyclohexylidenemethyliodonium salt: chirality probe approach to a primary vinyl cation intermediate. The Journal of organic chemistry 20021115
Properties