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89457-52-3 | Nonanoic acid,3-hydroxy-1-methylpropyl ester
CAS No: 89457-52-3 Catalog No: AG004437 MDL No:
Product Description
Catalog Number:
AG004437
Chemical Name:
Nonanoic acid,3-hydroxy-1-methylpropyl ester
CAS Number:
89457-52-3
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
4-hydroxybutan-2-yl nonanoate
InChI:
InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-13(15)16-12(2)10-11-14/h12,14H,3-11H2,1-2H3
InChI Key:
ODCLBFHKYXZZSM-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OC(CCO)C
EC Number:
289-503-6
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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