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140669-24-5 | Bicyclo[3.2.0]hept-2-en-6-one, 7-chloro-5-(1-oxopropoxy)-
CAS No: 140669-24-5 Catalog No: AG001CNN MDL No:
Product Description
Catalog Number:
AG001CNN
Chemical Name:
Bicyclo[3.2.0]hept-2-en-6-one, 7-chloro-5-(1-oxopropoxy)-
CAS Number:
140669-24-5
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
(6-chloro-7-oxo-1-bicyclo[3.2.0]hept-3-enyl) propanoate
InChI:
InChI=1S/C10H11ClO3/c1-2-7(12)14-10-5-3-4-6(10)8(11)9(10)13/h3-4,6,8H,2,5H2,1H3
InChI Key:
CBJKUCMDDZHJNX-UHFFFAOYSA-N
SMILES:
CCC(=O)OC12CC=CC2C(C1=O)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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