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17825-44-4 | 1H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-3-oxo-
CAS No: 17825-44-4 Catalog No: AG0025VE MDL No:MFCD01719623
Product Description
Catalog Number:
AG0025VE
Chemical Name:
1H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-3-oxo-
CAS Number:
17825-44-4
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD01719623
IUPAC Name:
6-methoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C11H10O4/c1-15-6-2-3-7-8(4-6)9(11(13)14)5-10(7)12/h2-4,9H,5H2,1H3,(H,13,14)
InChI Key:
RQQOLRQCNYYVOL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(CC2=O)C(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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