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102355-06-6 | 2-Cyclopenten-1-one, 4-(acetyloxy)-2-chloro-
CAS No: 102355-06-6 Catalog No: AG000784 MDL No:
Product Description
Catalog Number:
AG000784
Chemical Name:
2-Cyclopenten-1-one, 4-(acetyloxy)-2-chloro-
CAS Number:
102355-06-6
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
IUPAC Name:
(3-chloro-4-oxocyclopent-2-en-1-yl) acetate
InChI:
InChI=1S/C7H7ClO3/c1-4(9)11-5-2-6(8)7(10)3-5/h2,5H,3H2,1H3
InChI Key:
FNNGVFSPTDIHJP-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC(=O)C(=C1)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.58g/mol
Monoisotopic Mass:
174.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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