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101713-95-5 | 2-Hexanone, 4-hydroxy-5,5-dimethyl-
CAS No: 101713-95-5 Catalog No: AG0005AA MDL No:MFCD22051094
Product Description
Catalog Number:
AG0005AA
Chemical Name:
2-Hexanone, 4-hydroxy-5,5-dimethyl-
CAS Number:
101713-95-5
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD22051094
IUPAC Name:
4-hydroxy-5,5-dimethylhexan-2-one
InChI:
InChI=1S/C8H16O2/c1-6(9)5-7(10)8(2,3)4/h7,10H,5H2,1-4H3
InChI Key:
QDSWKHGIZCQXIT-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(C)(C)C)O
Properties
Complexity:
122
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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