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89630-80-8 | Cycloocta[b]furan-2(3H)-one, 3-chloro-3a,4,5,6,7,9a-hexahydro-
CAS No: 89630-80-8 Catalog No: AG003X7Z MDL No:
Product Description
Catalog Number:
AG003X7Z
Chemical Name:
Cycloocta[b]furan-2(3H)-one, 3-chloro-3a,4,5,6,7,9a-hexahydro-
CAS Number:
89630-80-8
Molecular Formula:
C10H13ClO2
Molecular Weight:
200.6620
IUPAC Name:
3-chloro-3a,4,5,6,7,9a-hexahydro-3H-cycloocta[b]furan-2-one
InChI:
InChI=1S/C10H13ClO2/c11-9-7-5-3-1-2-4-6-8(7)13-10(9)12/h4,6-9H,1-3,5H2
InChI Key:
XEGMHJZBCRIFCB-UHFFFAOYSA-N
SMILES:
O=C1OC2C(C1Cl)CCCCC=C2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.662g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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