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132699-28-6 | Pentanoic acid, 3-ethyl-3-hydroxy-2-methyl-, methyl ester
CAS No: 132699-28-6 Catalog No: AG00110T MDL No:
Product Description
Catalog Number:
AG00110T
Chemical Name:
Pentanoic acid, 3-ethyl-3-hydroxy-2-methyl-, methyl ester
CAS Number:
132699-28-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
methyl 3-ethyl-3-hydroxy-2-methylpentanoate
InChI:
InChI=1S/C9H18O3/c1-5-9(11,6-2)7(3)8(10)12-4/h7,11H,5-6H2,1-4H3
InChI Key:
JERUHIYSYCXONH-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(CC)(CC)O)C
Properties
Complexity:
150
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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