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1606-47-9 | 1-Penten-3-one, 4-methyl-
CAS No: 1606-47-9 Catalog No: AG001S2F MDL No:MFCD00129062
Product Description
Catalog Number:
AG001S2F
Chemical Name:
1-Penten-3-one, 4-methyl-
CAS Number:
1606-47-9
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD00129062
IUPAC Name:
4-methylpent-1-en-3-one
InChI:
InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
InChI Key:
SNOYUTZWILESAI-UHFFFAOYSA-N
SMILES:
C=CC(=O)C(C)C
Properties
Complexity:
82.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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