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100130-23-2

100130-23-2 | 4-Penten-2-one, 4-chloro-

CAS No: 100130-23-2 Catalog No: AG00011G MDL No:

Product Description

Catalog Number:
AG00011G
Chemical Name:
4-Penten-2-one, 4-chloro-
CAS Number:
100130-23-2
Molecular Formula:
C5H7ClO
Molecular Weight:
118.5615
IUPAC Name:
4-chloropent-4-en-2-one
InChI:
InChI=1S/C5H7ClO/c1-4(6)3-5(2)7/h1,3H2,2H3
InChI Key:
RWTAWFMIKHEDSU-UHFFFAOYSA-N
SMILES:
ClC(=C)CC(=O)C

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:
1.1  

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