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87324-44-5 | 4,7-Methano-1H-indene-2,5-dicarboxylicacid, octahydro-
CAS No: 87324-44-5 Catalog No: AG004ONX MDL No:
Product Description
Catalog Number:
AG004ONX
Chemical Name:
4,7-Methano-1H-indene-2,5-dicarboxylicacid, octahydro-
CAS Number:
87324-44-5
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
tricyclo[5.2.1.02,6]decane-4,8-dicarboxylic acid
InChI:
InChI=1S/C12H16O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h5-10H,1-4H2,(H,13,14)(H,15,16)
InChI Key:
RKLMSTQEVORNHJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2C(C1)C1CC2CC1C(=O)O
NSC Number:
81249
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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