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380427-39-4 | Methyl 2-oxoindoline-7-carboxylate
CAS No: 380427-39-4 Catalog No: AG003S1N MDL No:MFCD02179610
Product Description
Catalog Number:
AG003S1N
Chemical Name:
Methyl 2-oxoindoline-7-carboxylate
CAS Number:
380427-39-4
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD02179610
IUPAC Name:
methyl 2-oxo-1,3-dihydroindole-7-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-8(12)11-9(6)7/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
XVJRNLIMSQFUAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1NC(=O)C2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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