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138149-14-1 | 3-Buten-2-one, 1,1,1-trichloro-4-methoxy-
CAS No: 138149-14-1 Catalog No: AG00182T MDL No:
Product Description
Catalog Number:
AG00182T
Chemical Name:
3-Buten-2-one, 1,1,1-trichloro-4-methoxy-
CAS Number:
138149-14-1
Molecular Formula:
C5H5Cl3O2
Molecular Weight:
203.4510
IUPAC Name:
1,1,1-trichloro-4-methoxybut-3-en-2-one
InChI:
InChI=1S/C5H5Cl3O2/c1-10-3-2-4(9)5(6,7)8/h2-3H,1H3
InChI Key:
ZSYGAPOLAJMDGA-UHFFFAOYSA-N
SMILES:
COC=CC(=O)C(Cl)(Cl)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.443g/mol
Monoisotopic Mass:
201.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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