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13019-20-0 | 3-Heptanone, 2-methyl-
CAS No: 13019-20-0 Catalog No: AG000U4B MDL No:MFCD00009481
Product Description
Catalog Number:
AG000U4B
Chemical Name:
3-Heptanone, 2-methyl-
CAS Number:
13019-20-0
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00009481
IUPAC Name:
2-methylheptan-3-one
InChI:
InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChI Key:
XYYMFUCZDNNGFS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(C)C
EC Number:
235-877-0
UNII:
CH4JHS76WY
NSC Number:
21978
FEMA Number:
4000
Properties
Complexity:
84.6
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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