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88911-70-0 | 3-Pyridineheptanoic acid, 4-(3-hydroxyoctyl)-
CAS No: 88911-70-0 Catalog No: AG0048RF MDL No:
Product Description
Catalog Number:
AG0048RF
Chemical Name:
3-Pyridineheptanoic acid, 4-(3-hydroxyoctyl)-
CAS Number:
88911-70-0
Molecular Formula:
C20H33NO3
Molecular Weight:
335.4809
IUPAC Name:
7-[4-(3-hydroxyoctyl)pyridin-3-yl]heptanoic acid
InChI:
InChI=1S/C20H33NO3/c1-2-3-6-10-19(22)13-12-17-14-15-21-16-18(17)9-7-4-5-8-11-20(23)24/h14-16,19,22H,2-13H2,1H3,(H,23,24)
InChI Key:
OJHRSGKFJJJDMX-UHFFFAOYSA-N
SMILES:
CCCCCC(CCc1ccncc1CCCCCCC(=O)O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.488g/mol
Monoisotopic Mass:
335.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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