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85230-04-2 | Cyclohexanecarboxylic acid, 4-(4-propylphenyl)-, trans-
CAS No: 85230-04-2 Catalog No: AG004V9X MDL No:
Product Description
Catalog Number:
AG004V9X
Chemical Name:
Cyclohexanecarboxylic acid, 4-(4-propylphenyl)-, trans-
CAS Number:
85230-04-2
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
4-(4-propylphenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H22O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-7,14-15H,2-3,8-11H2,1H3,(H,17,18)
InChI Key:
YOXTXHPMOBOZQO-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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