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88911-67-5 | 3-Pyridineheptanoic acid, 4-(3-hydroxyoctyl)-, methyl ester
CAS No: 88911-67-5 Catalog No: AG00490T MDL No:
Product Description
Catalog Number:
AG00490T
Chemical Name:
3-Pyridineheptanoic acid, 4-(3-hydroxyoctyl)-, methyl ester
CAS Number:
88911-67-5
Molecular Formula:
C21H35NO3
Molecular Weight:
349.5075
IUPAC Name:
methyl 7-[4-(3-hydroxyoctyl)pyridin-3-yl]heptanoate
InChI:
InChI=1S/C21H35NO3/c1-3-4-7-11-20(23)14-13-18-15-16-22-17-19(18)10-8-5-6-9-12-21(24)25-2/h15-17,20,23H,3-14H2,1-2H3
InChI Key:
LCGXQZQOBMBQLU-UHFFFAOYSA-N
SMILES:
CCCCCC(CCc1ccncc1CCCCCCC(=O)OC)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.262g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.515g/mol
Monoisotopic Mass:
349.262g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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