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943-29-3 | trans-4-(tert-Butyl)cyclohexanecarboxylic acid
CAS No: 943-29-3 Catalog No: AG003UYF MDL No:MFCD00466237
Product Description
Catalog Number:
AG003UYF
Chemical Name:
trans-4-(tert-Butyl)cyclohexanecarboxylic acid
CAS Number:
943-29-3
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
MDL Number:
MFCD00466237
IUPAC Name:
4-tert-butylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChI Key:
QVQKEGYITJBHRQ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)C(C)(C)C
EC Number:
611-163-8
Properties
Complexity:
183
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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