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13757-91-0 | 2-Heptanone, 3-hydroxy-3-methyl-
CAS No: 13757-91-0 Catalog No: AG0013KM MDL No:
Product Description
Catalog Number:
AG0013KM
Chemical Name:
2-Heptanone, 3-hydroxy-3-methyl-
CAS Number:
13757-91-0
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
3-hydroxy-3-methylheptan-2-one
InChI:
InChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h10H,4-6H2,1-3H3
InChI Key:
LXVANNOZOKMRGM-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)C)(O)C
Properties
Complexity:
120
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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