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181514-10-3 | 2-Nonadecene-1,2,3-tricarboxylic acid, 19-hydroxy-, (E)- (9CI)
CAS No: 181514-10-3 Catalog No: AG0022Y4 MDL No:
Product Description
Catalog Number:
AG0022Y4
Chemical Name:
2-Nonadecene-1,2,3-tricarboxylic acid, 19-hydroxy-, (E)- (9CI)
CAS Number:
181514-10-3
Molecular Formula:
C22H38O7
Molecular Weight:
414.5329
IUPAC Name:
19-hydroxynonadec-2-ene-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C22H38O7/c23-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(21(26)27)19(22(28)29)17-20(24)25/h23H,1-17H2,(H,24,25)(H,26,27)(H,28,29)
InChI Key:
OGHMZBMHULTCAH-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCC/C(=C(\C(=O)O)/CC(=O)O)/C(=O)O
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.262g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
414.539g/mol
Monoisotopic Mass:
414.262g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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