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19803-01-1 | 7-Oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
CAS No: 19803-01-1 Catalog No: AG002B97 MDL No:
Product Description
Catalog Number:
AG002B97
Chemical Name:
7-Oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
CAS Number:
19803-01-1
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
IUPAC Name:
7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
InChI:
InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChI Key:
SSYFZUVBHHVNMR-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C(=O)O)C2OC1CC2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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