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Home > Indoles and Oxindole > 26272-42-4
26272-42-4 | 2-Propenoic acid, 2-cyano-3-(1H-indol-3-yl)-
CAS No: 26272-42-4 Catalog No: AG002SK3 MDL No:
Product Description
Catalog Number:
AG002SK3
Chemical Name:
2-Propenoic acid, 2-cyano-3-(1H-indol-3-yl)-
CAS Number:
26272-42-4
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H8N2O2/c13-6-8(12(15)16)5-9-7-14-11-4-2-1-3-10(9)11/h1-5,7,14H,(H,15,16)
InChI Key:
VEXPFUXVCVZRLI-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c[nH]c2c1cccc2)C(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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