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144868-43-9 | 2H-1,7-Dioxacyclopent[cd]indene-5-carboxylic acid, 2a,4a,7a,7b-tetrahydro-2a-hydroxy-, methyl ester, (2aS,4aS,7aS,7bS)-
CAS No: 144868-43-9 Catalog No: AG001K96 MDL No:MFCD20260802
Product Description
Catalog Number:
AG001K96
Chemical Name:
2H-1,7-Dioxacyclopent[cd]indene-5-carboxylic acid, 2a,4a,7a,7b-tetrahydro-2a-hydroxy-, methyl ester, (2aS,4aS,7aS,7bS)-
CAS Number:
144868-43-9
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD20260802
IUPAC Name:
methyl (1S,4S,7S,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undeca-5,8-diene-8-carboxylate
InChI:
InChI=1S/C11H12O5/c1-14-9(12)7-4-15-10-8-6(7)2-3-11(8,13)5-16-10/h2-4,6,8,10,13H,5H2,1H3/t6-,8-,10-,11-/m1/s1
InChI Key:
PYJMOWDBOPKFBI-SSQAQTMGSA-N
SMILES:
COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@@]3(O)CO2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Monoterpenes with antibacterial activities from a Cameroonian medicinal plant Canthium Multiflorum (Rubiaceae). | Fitoterapia 20131201 |
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