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1515-23-7 | 2,5-Cyclohexadiene-1,2-dicarboxylicacid
CAS No: 1515-23-7 Catalog No: AG001NDT MDL No:
Product Description
Catalog Number:
AG001NDT
Chemical Name:
2,5-Cyclohexadiene-1,2-dicarboxylicacid
CAS Number:
1515-23-7
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
cyclohexa-2,5-diene-1,2-dicarboxylic acid
InChI:
InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1,3-5H,2H2,(H,9,10)(H,11,12)
InChI Key:
XRCLQGMSELDJDX-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCC=CC1C(=O)O
NSC Number:
168024
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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