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4361-38-0,MFCD12065552
Catalog No.:AA01A8P2
4361-38-0 | 3-cyclohexylbutanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95.0%
3 weeks  
$800.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01A8P2
Chemical Name:
3-cyclohexylbutanoic acid
CAS Number:
4361-38-0
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD12065552
IUPAC Name:
3-cyclohexylbutanoic acid
InChI:
InChI=1S/C10H18O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12)
InChI Key:
CDPQZLVBRUMMRQ-UHFFFAOYSA-N
SMILES:
CC(C1CCCCC1)CC(=O)O
Properties
Computed Properties
 
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3-cyclohexylbutanoic acid 
4361-38-0 
NE31320 
EN300-62401 
A1-03488 
Z1259161695 
CID2753328 
Cyclohexanepropanoic acid, beta-methyl- 
AC1MBN1M 
3-cyclohexyl-butyric acid 
AC1Q1QY1 
SCHEMBL1208925 
3-cyclohexylbutanoic acid, AldrichCPR 
AKOS009990717 
MCULE-5146752612 
Literature
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