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114058-05-8 | 3-Oxabicyclo[3.2.0]heptane-2,4-dione, 6-(chloromethyl)-1,5-dimethyl-
CAS No: 114058-05-8 Catalog No: AG000AFD MDL No:
Product Description
Catalog Number:
AG000AFD
Chemical Name:
3-Oxabicyclo[3.2.0]heptane-2,4-dione, 6-(chloromethyl)-1,5-dimethyl-
CAS Number:
114058-05-8
Molecular Formula:
C9H11ClO3
Molecular Weight:
202.6348
IUPAC Name:
6-(chloromethyl)-1,5-dimethyl-3-oxabicyclo[3.2.0]heptane-2,4-dione
InChI:
InChI=1S/C9H11ClO3/c1-8-3-5(4-10)9(8,2)7(12)13-6(8)11/h5H,3-4H2,1-2H3
InChI Key:
FKCJREHRRAVOTB-UHFFFAOYSA-N
SMILES:
CC12C(CCl)CC2(C)C(=O)OC1=O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.634g/mol
Monoisotopic Mass:
202.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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