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100636-38-2 | 4-Penten-2-one, 1-chloro-
CAS No: 100636-38-2 Catalog No: AG0002JL MDL No:
Product Description
Catalog Number:
AG0002JL
Chemical Name:
4-Penten-2-one, 1-chloro-
CAS Number:
100636-38-2
Molecular Formula:
C5H7ClO
Molecular Weight:
118.5615
IUPAC Name:
1-chloropent-4-en-2-one
InChI:
InChI=1S/C5H7ClO/c1-2-3-5(7)4-6/h2H,1,3-4H2
InChI Key:
BNQGBULLSSEFID-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC=C
Properties
Complexity:
78.1
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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