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100386-15-0 | Hexanoic acid, 3-hydroxy-2-methyl-3-propyl-, ethyl ester
CAS No: 100386-15-0 Catalog No: AG0001V1 MDL No:
Product Description
Catalog Number:
AG0001V1
Chemical Name:
Hexanoic acid, 3-hydroxy-2-methyl-3-propyl-, ethyl ester
CAS Number:
100386-15-0
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
ethyl 3-hydroxy-2-methyl-3-propylhexanoate
InChI:
InChI=1S/C12H24O3/c1-5-8-12(14,9-6-2)10(4)11(13)15-7-3/h10,14H,5-9H2,1-4H3
InChI Key:
KTLQNJQADPANGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(CCC)(CCC)O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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