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76084-21-4 | 2-Propenoic acid, 3-[3-(cyanomethyl)-1H-indol-4-yl]-, methyl ester, (E)-
CAS No: 76084-21-4 Catalog No: AG005S75 MDL No:
Product Description
Catalog Number:
AG005S75
Chemical Name:
2-Propenoic acid, 3-[3-(cyanomethyl)-1H-indol-4-yl]-, methyl ester, (E)-
CAS Number:
76084-21-4
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
methyl 3-[3-(cyanomethyl)-1H-indol-4-yl]prop-2-enoate
InChI:
InChI=1S/C14H12N2O2/c1-18-13(17)6-5-10-3-2-4-12-14(10)11(7-8-15)9-16-12/h2-6,9,16H,7H2,1H3
InChI Key:
FTPSXVJHTBEAQA-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(ccc2)/C=C/C(=O)OC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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