Home Other Building Blocks 3-cyclohexylbutanoic acid

3-cyclohexylbutanoic acid

CAS No.:
4361-38-0
Catalog Number:
AG01A8RU
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
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Product Description
Catalog Number:
AG01A8RU
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
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  
Properties