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791724-59-9 | 1H-Indene-4-carboxylicacid, 2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-
CAS No: 791724-59-9 Catalog No: AG005AV4 MDL No:
Product Description
Catalog Number:
AG005AV4
Chemical Name:
1H-Indene-4-carboxylicacid, 2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-
CAS Number:
791724-59-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroindene-4-carboxylic acid
InChI:
InChI=1S/C11H12O4/c1-11-5-4-7(12)9(10(14)15)6(11)2-3-8(11)13/h2-5H2,1H3,(H,14,15)
InChI Key:
BXTLCOMYYGSJTJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C2CCC(=O)C2(CCC1=O)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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