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142247-75-4 | Octanoic acid, 2-(1,3-butadien-1-yl)-3-hydroxy-
CAS No: 142247-75-4 Catalog No: AG001I1K MDL No:
Product Description
Catalog Number:
AG001I1K
Chemical Name:
Octanoic acid, 2-(1,3-butadien-1-yl)-3-hydroxy-
CAS Number:
142247-75-4
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
2-buta-1,3-dienyl-3-hydroxyoctanoic acid
InChI:
InChI=1S/C12H20O3/c1-3-5-7-9-11(13)10(12(14)15)8-6-4-2/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,14,15)
InChI Key:
ZGMLVEJWNPIEBU-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C(=O)O)C=CC=C)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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