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119999-08-5 | [2,2'-Binaphthalene]-6-carboxylic acid, 5',6',7',8'-tetrahydro-3',5',5',8',8'-pentamethyl-
CAS No: 119999-08-5 Catalog No: AG000PZB MDL No:
Product Description
Catalog Number:
AG000PZB
Chemical Name:
[2,2'-Binaphthalene]-6-carboxylic acid, 5',6',7',8'-tetrahydro-3',5',5',8',8'-pentamethyl-
CAS Number:
119999-08-5
Molecular Formula:
C26H28O2
Molecular Weight:
372.4993
IUPAC Name:
6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C26H28O2/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-21(16)19-8-6-18-14-20(24(27)28)9-7-17(18)13-19/h6-9,12-15H,10-11H2,1-5H3,(H,27,28)
InChI Key:
UJHRUCLKPQQBOQ-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1c1ccc3c(c1)ccc(c3)C(=O)O)C(C)(C)CCC2(C)C
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.508g/mol
Monoisotopic Mass:
372.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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