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939793-19-8 | Methyl 3-cyano-1H-indole-4-carboxylate
CAS No: 939793-19-8 Catalog No: AG003RRZ MDL No:MFCD09260613
Product Description
Catalog Number:
AG003RRZ
Chemical Name:
Methyl 3-cyano-1H-indole-4-carboxylate
CAS Number:
939793-19-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09260613
IUPAC Name:
methyl 3-cyano-1H-indole-4-carboxylate
InChI:
InChI=1S/C11H8N2O2/c1-15-11(14)8-3-2-4-9-10(8)7(5-12)6-13-9/h2-4,6,13H,1H3
InChI Key:
NMPYJMZQCATEKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(C#N)c[nH]2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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