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114659-41-5 | Pentanoic acid, 2-ethyl-5-hydroxy-2-methyl-, methyl ester, (R)- (9CI)
CAS No: 114659-41-5 Catalog No: AG000EYV MDL No:
Product Description
Catalog Number:
AG000EYV
Chemical Name:
Pentanoic acid, 2-ethyl-5-hydroxy-2-methyl-, methyl ester, (R)- (9CI)
CAS Number:
114659-41-5
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
methyl 2-ethyl-5-hydroxy-2-methylpentanoate
InChI:
InChI=1S/C9H18O3/c1-4-9(2,6-5-7-10)8(11)12-3/h10H,4-7H2,1-3H3
InChI Key:
FQIPMHZHHMSPAQ-UHFFFAOYSA-N
SMILES:
OCCC[C@](C(=O)OC)(CC)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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