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541-85-5 | 5-Methylheptan-3-one
CAS No: 541-85-5 Catalog No: AG003MW0 MDL No:MFCD00009340
Product Description
Catalog Number:
AG003MW0
Chemical Name:
5-Methylheptan-3-one
CAS Number:
541-85-5
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00009340
IUPAC Name:
5-methylheptan-3-one
InChI:
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChI Key:
PSBKJPTZCVYXSD-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)CC)C
EC Number:
208-793-7
NSC Number:
100734
RTECS Number:
MJ7350000
UN Number:
2271
Properties
Complexity:
86.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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