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817-77-6 | Propanoic acid, 3,3-dichloro-, methyl ester
CAS No: 817-77-6 Catalog No: AG0056TW MDL No:
Product Description
Catalog Number:
AG0056TW
Chemical Name:
Propanoic acid, 3,3-dichloro-, methyl ester
CAS Number:
817-77-6
Molecular Formula:
C4H6Cl2O2
Molecular Weight:
156.9952
IUPAC Name:
methyl 3,3-dichloropropanoate
InChI:
InChI=1S/C4H6Cl2O2/c1-8-4(7)2-3(5)6/h3H,2H2,1H3
InChI Key:
WGVLOKHINHKFDO-UHFFFAOYSA-N
SMILES:
COC(=O)CC(Cl)Cl
Properties
Complexity:
82.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.974g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.99g/mol
Monoisotopic Mass:
155.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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