Home Carboxys (1R,4R,5S)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid

(1R,4R,5S)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid

CAS No.:
1027355-51-6
Catalog Number:
AG00IM3H
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
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Product Description
Catalog Number:
AG00IM3H
Chemical Name:
(1R,4R,5S)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid
CAS Number:
1027355-51-6
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid
InChI:
InChI=1S/C7H8O4/c8-6(9)4-1-3-2-5(4)7(10)11-3/h3-5H,1-2H2,(H,8,9)
InChI Key:
YWHQIVJPIBHBSV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CC1C(=O)O2
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties