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15851-74-8 | 1-Penten-3-one, 1-chloro-4,4-dimethyl-
CAS No: 15851-74-8 Catalog No: AG001Q8Y MDL No:
Product Description
Catalog Number:
AG001Q8Y
Chemical Name:
1-Penten-3-one, 1-chloro-4,4-dimethyl-
CAS Number:
15851-74-8
Molecular Formula:
C7H11ClO
Molecular Weight:
146.6146
IUPAC Name:
1-chloro-4,4-dimethylpent-1-en-3-one
InChI:
InChI=1S/C7H11ClO/c1-7(2,3)6(9)4-5-8/h4-5H,1-3H3
InChI Key:
SWRGXGUWAIPLSI-UHFFFAOYSA-N
SMILES:
ClC=CC(=O)C(C)(C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.614g/mol
Monoisotopic Mass:
146.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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