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28871-62-7 | 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-
CAS No: 28871-62-7 Catalog No: AG002WX1 MDL No:
Product Description
Catalog Number:
AG002WX1
Chemical Name:
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-
CAS Number:
28871-62-7
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
IUPAC Name:
(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChI:
InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)/t3-,4+,5-,6+
InChI Key:
ROWKCXLLOLDVIO-FBXFSONDSA-N
SMILES:
OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)O)O2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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