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114048-73-6 | Cyclohexanecarboxylic acid, 4-(1-methylpropyl)-, cis-
CAS No: 114048-73-6 Catalog No: AG000AEV MDL No:
Product Description
Catalog Number:
AG000AEV
Chemical Name:
Cyclohexanecarboxylic acid, 4-(1-methylpropyl)-, cis-
CAS Number:
114048-73-6
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
4-butan-2-ylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H20O2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13)
InChI Key:
VFTRSMGETVEFDD-UHFFFAOYSA-N
SMILES:
CCC([C@@H]1CC[C@@H](CC1)C(=O)O)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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