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832089-57-3 | 1H-Indene-1-carboxylic acid, 2,3-dihydro-2-methyl-3-oxo-, methyl ester
CAS No: 832089-57-3 Catalog No: AG004ZYU MDL No:
Product Description
Catalog Number:
AG004ZYU
Chemical Name:
1H-Indene-1-carboxylic acid, 2,3-dihydro-2-methyl-3-oxo-, methyl ester
CAS Number:
832089-57-3
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
methyl 2-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
InChI:
InChI=1S/C12H12O3/c1-7-10(12(14)15-2)8-5-3-4-6-9(8)11(7)13/h3-7,10H,1-2H3
InChI Key:
YMLRUWAJOKHCIG-UHFFFAOYSA-N
SMILES:
COC(=O)C1c2ccccc2C(=O)C1C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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