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79722-79-5 | METHYL 2-(FORMYLAMINO)-3-(1H-INDOL-3-YL)ACRYLATE
CAS No: 79722-79-5 Catalog No: AG0056CE MDL No:
Product Description
Catalog Number:
AG0056CE
Chemical Name:
METHYL 2-(FORMYLAMINO)-3-(1H-INDOL-3-YL)ACRYLATE
CAS Number:
79722-79-5
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
methyl (Z)-2-formamido-3-(1H-indol-3-yl)prop-2-enoate
InChI:
InChI=1S/C13H12N2O3/c1-18-13(17)12(15-8-16)6-9-7-14-11-5-3-2-4-10(9)11/h2-8,14H,1H3,(H,15,16)/b12-6-
InChI Key:
ZAHSXZHCAHDIKL-SDQBBNPISA-N
SMILES:
O=CNC(=Cc1c[nH]c2c1cccc2)C(=O)OC
NSC Number:
368151
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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