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138713-79-8 | 3-Cyclohexene-1-carboxylic acid, 2-(diphenylmethyl)-, trans- (9CI)
CAS No: 138713-79-8 Catalog No: AG00192N MDL No:
Product Description
Catalog Number:
AG00192N
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 2-(diphenylmethyl)-, trans- (9CI)
CAS Number:
138713-79-8
Molecular Formula:
C20H20O2
Molecular Weight:
292.3716
IUPAC Name:
2-benzhydrylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C20H20O2/c21-20(22)18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-7,9-13,17-19H,8,14H2,(H,21,22)
InChI Key:
PSDHWXYVLLVTHW-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCC=C[C@H]1C(c1ccccc1)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.378g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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