Home Halogens 2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

CAS No.:
98922-76-0
Catalog Number:
AG01AN6F
Molecular Formula:
C7H9ClO3
Molecular Weight:
176.5976
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Product Description
Catalog Number:
AG01AN6F
Chemical Name:
2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number:
98922-76-0
Molecular Formula:
C7H9ClO3
Molecular Weight:
176.5976
MDL Number:
MFCD20645032
IUPAC Name:
2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C7H9ClO3/c8-7(6(9)10)3-4-1-2-5(7)11-4/h4-5H,1-3H2,(H,9,10)
InChI Key:
QTYNZHNFXNOPIJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(Cl)CC2OC1CC2
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.596g/mol
Monoisotopic Mass:
176.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties