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39547-16-5

39547-16-5 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid

CAS No: 39547-16-5 Catalog No: AG0038RX MDL No:MFCD01464547

Product Description

Catalog Number:
AG0038RX
Chemical Name:
3-(5-methoxy-1H-indol-3-yl)propanoic acid
CAS Number:
39547-16-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01464547
IUPAC Name:
3-(5-methoxy-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
InChI Key:
ZLSZCJIWILJKMR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCC(=O)O)c[nH]2

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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