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1470-91-3 | 3-Butenoyl chloride
CAS No: 1470-91-3 Catalog No: AG001EI5 MDL No:MFCD09032530
Product Description
Catalog Number:
AG001EI5
Chemical Name:
3-Butenoyl chloride
CAS Number:
1470-91-3
Molecular Formula:
C4H5ClO
Molecular Weight:
104.5349
MDL Number:
MFCD09032530
IUPAC Name:
but-3-enoyl chloride
InChI:
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2H,1,3H2
InChI Key:
OKOSPWNNXVDXKZ-UHFFFAOYSA-N
SMILES:
ClC(=O)CC=C
Properties
Complexity:
67.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.003g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.533g/mol
Monoisotopic Mass:
104.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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