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30902-82-0 | 3-Buten-2-one, 3-(chloromethyl)-
CAS No: 30902-82-0 Catalog No: AG0031ME MDL No:
Product Description
Catalog Number:
AG0031ME
Chemical Name:
3-Buten-2-one, 3-(chloromethyl)-
CAS Number:
30902-82-0
Molecular Formula:
C5H7ClO
Molecular Weight:
118.5615
IUPAC Name:
3-(chloromethyl)but-3-en-2-one
InChI:
InChI=1S/C5H7ClO/c1-4(3-6)5(2)7/h1,3H2,2H3
InChI Key:
LZRXJUQCEBLPNN-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C)CCl
Properties
Complexity:
96.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.019g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.56g/mol
Monoisotopic Mass:
118.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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