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144172-24-7 | 1H-Indene-2-carboxylic acid, 5-chloro-2,3-dihydro-2-hydroxy-1-oxo-, methyl ester
CAS No: 144172-24-7 Catalog No: AG001J23 MDL No:MFCD09033003
Product Description
Catalog Number:
AG001J23
Chemical Name:
1H-Indene-2-carboxylic acid, 5-chloro-2,3-dihydro-2-hydroxy-1-oxo-, methyl ester
CAS Number:
144172-24-7
Molecular Formula:
C11H9ClO4
Molecular Weight:
240.6398
MDL Number:
MFCD09033003
IUPAC Name:
methyl 6-chloro-2-hydroxy-3-oxo-1H-indene-2-carboxylate
InChI:
InChI=1S/C11H9ClO4/c1-16-10(14)11(15)5-6-4-7(12)2-3-8(6)9(11)13/h2-4,15H,5H2,1H3
InChI Key:
NCNGKAPNQHDQBA-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)Cc2c(C1=O)ccc(c2)Cl
EC Number:
604-399-8
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.639g/mol
Monoisotopic Mass:
240.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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