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38720-47-7

38720-47-7 | 2-Propenoic acid, 3-(1H-indolyl)-

CAS No: 38720-47-7 Catalog No: AG0078LK MDL No:

Product Description

Catalog Number:
AG0078LK
Chemical Name:
2-Propenoic acid, 3-(1H-indolyl)-
CAS Number:
38720-47-7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
3-indol-1-ylprop-2-enoic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-8H,(H,13,14)
InChI Key:
AWZMGHXMICGZMH-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cn1ccc2c1cccc2

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

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