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2228699-81-6 | 2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CAS No: 2228699-81-6 Catalog No: AG01FISL MDL No:
Product Description
Catalog Number:
AG01FISL
Chemical Name:
2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CAS Number:
2228699-81-6
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
InChI:
InChI=1S/C6H8O3/c7-5(8)6-1-4(2-6)3-9-6/h4H,1-3H2,(H,7,8)
InChI Key:
RHJXUKZPHJCBLA-UHFFFAOYSA-N
SMILES:
OC(=O)C12OCC(C1)C2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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