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1779572-69-8

1779572-69-8 | 1H-Indene-2-carboxylic acid, 7-chloro-2,3-dihydro-1-oxo-, methyl ester

CAS No: 1779572-69-8 Catalog No: AG0025ND MDL No:

Product Description

Catalog Number:
AG0025ND
Chemical Name:
1H-Indene-2-carboxylic acid, 7-chloro-2,3-dihydro-1-oxo-, methyl ester
CAS Number:
1779572-69-8
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
IUPAC Name:
methyl 4-chloro-3-oxo-1,2-dihydroindene-2-carboxylate
InChI:
InChI=1S/C11H9ClO3/c1-15-11(14)7-5-6-3-2-4-8(12)9(6)10(7)13/h2-4,7H,5H2,1H3
InChI Key:
HHPWBKHHXIDMEX-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(C1=O)c(Cl)ccc2

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.64g/mol
Monoisotopic Mass:
224.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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