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102601-40-1 | 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E)-, compd. with pyridine (1:2) (9CI)
CAS No: 102601-40-1 Catalog No: AG0007VP MDL No:
Product Description
Catalog Number:
AG0007VP
Chemical Name:
2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E)-, compd. with pyridine (1:2) (9CI)
CAS Number:
102601-40-1
Molecular Formula:
C25H29NO4
Molecular Weight:
407.5021
IUPAC Name:
pyridine;(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
InChI:
InChI=1S/C20H24O4.C5H5N/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24;1-2-4-6-5-3-1/h5-14H,1-4H3,(H,21,22)(H,23,24);1-5H/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+;
InChI Key:
GUBBAMAOBVKDMC-DWBLJZBXSA-N
SMILES:
c1cccnc1.CC(=CC=CC=C(C=CC=C(C(=O)O)C)C)C=CC=C(C(=O)O)C
NSC Number:
657642
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
7
Exact Mass:
407.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.51g/mol
Monoisotopic Mass:
407.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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