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Home Other Building Blocks 4-Isopropylcyclohexanone

4-Isopropylcyclohexanone

CAS No.:
5432-85-9
Catalog Number:
AG003432
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$138
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003432
Chemical Name:
4-Isopropylcyclohexanone
CAS Number:
5432-85-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00043479
IUPAC Name:
4-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3
InChI Key:
FPKISACHVIIMRA-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=O)CC1)C
EC Number:
226-592-2
NSC Number:
21125
Properties
Complexity:
117  
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:
2.2  
Literature
Title Journal
Highly diastereoselective formation of spirocyclic compounds via 1,5-hydrogen transfer: a total synthesis of (-)-erythrodiene. Organic letters 20050915
Stereoselective synthesis of cis-p-menth-8-ene-1,7-diol, cis-p-menthane-1,7-diol, and cis-p-menthane-1,7,8-triol. Chemistry (Weinheim an der Bergstrasse, Germany) 20050422
Properties