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1561-34-8 | 2-Propenal, 3,3-dichloro-2-methyl-
CAS No: 1561-34-8 Catalog No: AG001OIN MDL No:MFCD24673976
Product Description
Catalog Number:
AG001OIN
Chemical Name:
2-Propenal, 3,3-dichloro-2-methyl-
CAS Number:
1561-34-8
Molecular Formula:
C4H4Cl2O
Molecular Weight:
138.9800
MDL Number:
MFCD24673976
IUPAC Name:
3,3-dichloro-2-methylprop-2-enal
InChI:
InChI=1S/C4H4Cl2O/c1-3(2-7)4(5)6/h2H,1H3
InChI Key:
XVHFVDJGJGNESS-UHFFFAOYSA-N
SMILES:
O=CC(=C(Cl)Cl)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.964g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.975g/mol
Monoisotopic Mass:
137.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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