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101051-51-8 | Hexanoic acid, 2-ethyl-2-(hydroxymethyl)-
CAS No: 101051-51-8 Catalog No: AG0003MQ MDL No:
Product Description
Catalog Number:
AG0003MQ
Chemical Name:
Hexanoic acid, 2-ethyl-2-(hydroxymethyl)-
CAS Number:
101051-51-8
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
2-ethyl-2-(hydroxymethyl)hexanoic acid
InChI:
InChI=1S/C9H18O3/c1-3-5-6-9(4-2,7-10)8(11)12/h10H,3-7H2,1-2H3,(H,11,12)
InChI Key:
GOYVCPYTLIOSLQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)(CO)CC
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:
2
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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