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Home > Indoles and Oxindole > 790271-01-1
790271-01-1 | (2E)-3-[1-(2-Cyanoethyl)-1h-indol-3-yl]acrylic acid
CAS No: 790271-01-1 Catalog No: AG00ICZU MDL No:MFCD06357867
Product Description
Catalog Number:
AG00ICZU
Chemical Name:
(2E)-3-[1-(2-Cyanoethyl)-1h-indol-3-yl]acrylic acid
CAS Number:
790271-01-1
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
MDL Number:
MFCD06357867
IUPAC Name:
3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H12N2O2/c15-8-3-9-16-10-11(6-7-14(17)18)12-4-1-2-5-13(12)16/h1-2,4-7,10H,3,9H2,(H,17,18)
InChI Key:
UJSPGFDSPNNZFP-UHFFFAOYSA-N
SMILES:
N#CCCn1cc(c2c1cccc2)C=CC(=O)O
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:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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