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925889-73-2 | 1-(3-CYANO-BENZYL)-3-FORMYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS No: 925889-73-2 Catalog No: AG006GMM MDL No:
Product Description
Catalog Number:
AG006GMM
Chemical Name:
1-(3-CYANO-BENZYL)-3-FORMYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS Number:
925889-73-2
Molecular Formula:
C19H14N2O3
Molecular Weight:
318.3261
IUPAC Name:
methyl 1-[(3-cyanophenyl)methyl]-3-formylindole-5-carboxylate
InChI:
InChI=1S/C19H14N2O3/c1-24-19(23)15-5-6-18-17(8-15)16(12-22)11-21(18)10-14-4-2-3-13(7-14)9-20/h2-8,11-12H,10H2,1H3
InChI Key:
BDTZUDCWVBUYMI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(C=O)cn2Cc1cccc(c1)C#N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.332g/mol
Monoisotopic Mass:
318.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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