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125303-54-0 | Hexanoic acid, 2-(acetyloxy)-
CAS No: 125303-54-0 Catalog No: AG000NGV MDL No:
Product Description
Catalog Number:
AG000NGV
Chemical Name:
Hexanoic acid, 2-(acetyloxy)-
CAS Number:
125303-54-0
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
2-acetyloxyhexanoic acid
InChI:
InChI=1S/C8H14O4/c1-3-4-5-7(8(10)11)12-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)
InChI Key:
UNRUVTCUIPOZBF-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)OC(=O)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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