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168166-75-4

168166-75-4 | 1H-Indole-1-propanoic acid, 5-amino-, methyl ester

CAS No: 168166-75-4 Catalog No: AG001XVO MDL No:MFCD19612263

Product Description

Catalog Number:
AG001XVO
Chemical Name:
1H-Indole-1-propanoic acid, 5-amino-, methyl ester
CAS Number:
168166-75-4
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD19612263
IUPAC Name:
methyl 3-(5-aminoindol-1-yl)propanoate
InChI:
InChI=1S/C12H14N2O2/c1-16-12(15)5-7-14-6-4-9-8-10(13)2-3-11(9)14/h2-4,6,8H,5,7,13H2,1H3
InChI Key:
WWAGINKXUZAAPD-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1ccc2c1ccc(c2)N

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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