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101705-41-3 | [2,2'-Binaphthalene]-6-carboxylic acid, 5'-azido-5',6',7',8'-tetrahydro-5',8',8'-trimethyl-
CAS No: 101705-41-3 Catalog No: AG00059W MDL No:
Product Description
Catalog Number:
AG00059W
Chemical Name:
[2,2'-Binaphthalene]-6-carboxylic acid, 5'-azido-5',6',7',8'-tetrahydro-5',8',8'-trimethyl-
CAS Number:
101705-41-3
Molecular Formula:
C24H23N3O2
Molecular Weight:
385.4583
IUPAC Name:
6-(5-azido-5,8,8-trimethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C24H23N3O2/c1-23(2)10-11-24(3,26-27-25)20-9-8-18(14-21(20)23)16-4-5-17-13-19(22(28)29)7-6-15(17)12-16/h4-9,12-14H,10-11H2,1-3H3,(H,28,29)
InChI Key:
LRNDTPKGMUKSNO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1(C)CCC(c2c1ccc(c2)c1ccc2c(c1)ccc(c2)C(=O)O)(C)C
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.179g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.467g/mol
Monoisotopic Mass:
385.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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