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7029-49-4 | 3-Hexanone, 4-ethyl-4-hydroxy-
CAS No: 7029-49-4 Catalog No: AG005JWA MDL No:
Product Description
Catalog Number:
AG005JWA
Chemical Name:
3-Hexanone, 4-ethyl-4-hydroxy-
CAS Number:
7029-49-4
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
4-ethyl-4-hydroxyhexan-3-one
InChI:
InChI=1S/C8H16O2/c1-4-7(9)8(10,5-2)6-3/h10H,4-6H2,1-3H3
InChI Key:
DOGXRKXNNGOCNR-UHFFFAOYSA-N
SMILES:
CCC(=O)C(CC)(CC)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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