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735270-20-9 | cis-4-(4-n-Pentylbenzoyl)cyclohexane-1-carboxylic acid
CAS No: 735270-20-9 Catalog No: AG01F83Q MDL No:
Product Description
Catalog Number:
AG01F83Q
Chemical Name:
cis-4-(4-n-Pentylbenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
735270-20-9
Molecular Formula:
C19H26O3
Molecular Weight:
302.4079
IUPAC Name:
4-(4-pentylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C19H26O3/c1-2-3-4-5-14-6-8-15(9-7-14)18(20)16-10-12-17(13-11-16)19(21)22/h6-9,16-17H,2-5,10-13H2,1H3,(H,21,22)
InChI Key:
YZWXIGMTNZJLRT-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)[C@@H]1CC[C@@H](CC1)C(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.188g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.414g/mol
Monoisotopic Mass:
302.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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