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114048-61-2 | Cyclopropaneoctanoic acid, 2-(2-hydroxyoctyl)-, methyl ester
CAS No: 114048-61-2 Catalog No: AG000AEW MDL No:
Product Description
Catalog Number:
AG000AEW
Chemical Name:
Cyclopropaneoctanoic acid, 2-(2-hydroxyoctyl)-, methyl ester
CAS Number:
114048-61-2
Molecular Formula:
C20H38O3
Molecular Weight:
326.5139
IUPAC Name:
methyl 8-[2-(2-hydroxyoctyl)cyclopropyl]octanoate
InChI:
InChI=1S/C20H38O3/c1-3-4-5-10-13-19(21)16-18-15-17(18)12-9-7-6-8-11-14-20(22)23-2/h17-19,21H,3-16H2,1-2H3
InChI Key:
UJESBKSUNGFIEB-UHFFFAOYSA-N
SMILES:
CCCCCCC(CC1CC1CCCCCCCC(=O)OC)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.282g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.521g/mol
Monoisotopic Mass:
326.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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