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735270-28-7 | trans-4-(2-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS No: 735270-28-7 Catalog No: AG01F83R MDL No:
Product Description
Catalog Number:
AG01F83R
Chemical Name:
trans-4-(2-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
735270-28-7
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
4-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O3/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(9-7-11)15(17)18/h2-5,11-12H,6-9H2,1H3,(H,17,18)
InChI Key:
SITPEVSEKLINBY-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)C(=O)c1ccccc1C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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