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736136-04-2 | trans-4-(4-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS No: 736136-04-2 Catalog No: AG01F83T MDL No:
Product Description
Catalog Number:
AG01F83T
Chemical Name:
trans-4-(4-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
736136-04-2
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
4-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h2-5,12-13H,6-9H2,1H3,(H,17,18)
InChI Key:
SGDLKJYEEFPOKZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
308
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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