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168196-18-7 | 4,7-Methano-1H-indene-5,6-dicarboxylic acid, octahydro-
CAS No: 168196-18-7 Catalog No: AG001XWB MDL No:
Product Description
Catalog Number:
AG001XWB
Chemical Name:
4,7-Methano-1H-indene-5,6-dicarboxylic acid, octahydro-
CAS Number:
168196-18-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
tricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
InChI:
InChI=1S/C12H16O4/c13-11(14)9-7-4-8(10(9)12(15)16)6-3-1-2-5(6)7/h5-10H,1-4H2,(H,13,14)(H,15,16)
InChI Key:
RBIQXRYNBGFRGN-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)C2CC1C1C2CCC1
Properties
Complexity:
319
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:
1.8
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