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101705-42-4 | [2,2'-Binaphthalene]-6-carboxylic acid, 5',6',7',8'-tetrahydro-8',8'-dimethyl-
CAS No: 101705-42-4 Catalog No: AG00059V MDL No:
Product Description
Catalog Number:
AG00059V
Chemical Name:
[2,2'-Binaphthalene]-6-carboxylic acid, 5',6',7',8'-tetrahydro-8',8'-dimethyl-
CAS Number:
101705-42-4
Molecular Formula:
C23H22O2
Molecular Weight:
330.4196
IUPAC Name:
6-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C23H22O2/c1-23(2)11-3-4-15-5-6-19(14-21(15)23)17-7-8-18-13-20(22(24)25)10-9-16(18)12-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25)
InChI Key:
AEUKRHQBNUPZIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc(c2)c1ccc2c(c1)C(C)(C)CCC2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.427g/mol
Monoisotopic Mass:
330.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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