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117462-26-7 | 3-Heptanone, 5-hydroxy-2,2,6-trimethyl-
CAS No: 117462-26-7 Catalog No: AG000EBO MDL No:
Product Description
Catalog Number:
AG000EBO
Chemical Name:
3-Heptanone, 5-hydroxy-2,2,6-trimethyl-
CAS Number:
117462-26-7
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
5-hydroxy-2,2,6-trimethylheptan-3-one
InChI:
InChI=1S/C10H20O2/c1-7(2)8(11)6-9(12)10(3,4)5/h7-8,11H,6H2,1-5H3
InChI Key:
GMYCMCQOPPEVMY-UHFFFAOYSA-N
SMILES:
CC(C(CC(=O)C(C)(C)C)O)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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