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142286-41-7 | 3-Pentenoic acid, 5-cyclohexyl-3-methyl-
CAS No: 142286-41-7 Catalog No: AG001I4E MDL No:
Product Description
Catalog Number:
AG001I4E
Chemical Name:
3-Pentenoic acid, 5-cyclohexyl-3-methyl-
CAS Number:
142286-41-7
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
5-cyclohexyl-3-methylpent-3-enoic acid
InChI:
InChI=1S/C12H20O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,13,14)
InChI Key:
RMFFDAMYJNJECT-UHFFFAOYSA-N
SMILES:
CC(=CCC1CCCCC1)CC(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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