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86471-13-8 | 6-(2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)ETHEN-1-YL)-2-NAPHTHALENECARBOXYLIC ACID
CAS No: 86471-13-8 Catalog No: AG004QPS MDL No:
Product Description
Catalog Number:
AG004QPS
Chemical Name:
6-(2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)ETHEN-1-YL)-2-NAPHTHALENECARBOXYLIC ACID
CAS Number:
86471-13-8
Molecular Formula:
C22H24O2
Molecular Weight:
320.4248
IUPAC Name:
6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C22H24O2/c1-15-5-4-12-22(2,3)20(15)11-7-16-6-8-18-14-19(21(23)24)10-9-17(18)13-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24)/b11-7+
InChI Key:
RCHMLZNVEBARAC-YRNVUSSQSA-N
SMILES:
CC1=C(C=Cc2ccc3c(c2)ccc(c3)C(=O)O)C(CCC1)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
320.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.432g/mol
Monoisotopic Mass:
320.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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