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89157-41-5 | Octanoic acid, 3-hydroxy-2-methyl-, methyl ester
CAS No: 89157-41-5 Catalog No: AG003WYE MDL No:
Product Description
Catalog Number:
AG003WYE
Chemical Name:
Octanoic acid, 3-hydroxy-2-methyl-, methyl ester
CAS Number:
89157-41-5
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
methyl 3-hydroxy-2-methyloctanoate
InChI:
InChI=1S/C10H20O3/c1-4-5-6-7-9(11)8(2)10(12)13-3/h8-9,11H,4-7H2,1-3H3
InChI Key:
HZYIMDGYVOETSV-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C(=O)OC)C)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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