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143894-92-2 | Butanoic acid, 3-hydroxy-, decyl ester
CAS No: 143894-92-2 Catalog No: AG001IKS MDL No:
Product Description
Catalog Number:
AG001IKS
Chemical Name:
Butanoic acid, 3-hydroxy-, decyl ester
CAS Number:
143894-92-2
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
decyl 3-hydroxybutanoate
InChI:
InChI=1S/C14H28O3/c1-3-4-5-6-7-8-9-10-11-17-14(16)12-13(2)15/h13,15H,3-12H2,1-2H3
InChI Key:
YAJRQPDETHKLGZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CC(O)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.204g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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