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113412-23-0 | Benzoic acid, 5-cyclohexyl-3-ethenyl-2-hydroxy-
CAS No: 113412-23-0 Catalog No: AG0008HX MDL No:
Product Description
Catalog Number:
AG0008HX
Chemical Name:
Benzoic acid, 5-cyclohexyl-3-ethenyl-2-hydroxy-
CAS Number:
113412-23-0
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
5-cyclohexyl-3-ethenyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C15H18O3/c1-2-10-8-12(11-6-4-3-5-7-11)9-13(14(10)16)15(17)18/h2,8-9,11,16H,1,3-7H2,(H,17,18)
InChI Key:
MOFNVGJIQUMDBU-UHFFFAOYSA-N
SMILES:
C=Cc1cc(cc(c1O)C(=O)O)C1CCCCC1
Properties
Complexity:
307
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:
2
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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