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167413-68-5 | 3-Pyridinecarboxylic acid, 6-[2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl]-, (E)- (9CI)
CAS No: 167413-68-5 Catalog No: AG001XDE MDL No:
Product Description
Catalog Number:
AG001XDE
Chemical Name:
3-Pyridinecarboxylic acid, 6-[2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl]-, (E)- (9CI)
CAS Number:
167413-68-5
Molecular Formula:
C24H29NO2
Molecular Weight:
363.4926
IUPAC Name:
6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)
InChI Key:
GAZWXMUOJOGOHH-UHFFFAOYSA-N
SMILES:
C/C(=C\c1ccc(cn1)C(=O)O)/c1cc2c(cc1C)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:
363.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.501g/mol
Monoisotopic Mass:
363.22g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.8
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