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7556-13-0 | 7,7-dichloro-2-oxabicyclo[4.1.0]heptane
CAS No: 7556-13-0 Catalog No: AG005K59 MDL No:MFCD13180477
Product Description
Catalog Number:
AG005K59
Chemical Name:
7,7-dichloro-2-oxabicyclo[4.1.0]heptane
CAS Number:
7556-13-0
Molecular Formula:
C6H8Cl2O
Molecular Weight:
167.0331
MDL Number:
MFCD13180477
IUPAC Name:
7,7-dichloro-2-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C6H8Cl2O/c7-6(8)4-2-1-3-9-5(4)6/h4-5H,1-3H2
InChI Key:
WCQNTBPEVRZQMG-UHFFFAOYSA-N
SMILES:
ClC1(Cl)C2C1CCCO2
NSC Number:
130991
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.995g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.029g/mol
Monoisotopic Mass:
165.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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