Home Other Building Blocks 2-(5-PROPOXY-1H-INDOL-3-YL)ACETIC ACID

2-(5-PROPOXY-1H-INDOL-3-YL)ACETIC ACID

CAS No.:
1270002-51-1
Catalog Number:
AG01EKGA
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01EKGA
Chemical Name:
2-(5-PROPOXY-1H-INDOL-3-YL)ACETIC ACID
CAS Number:
1270002-51-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD23454073
IUPAC Name:
2-(5-propoxy-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C13H15NO3/c1-2-5-17-10-3-4-12-11(7-10)9(8-14-12)6-13(15)16/h3-4,7-8,14H,2,5-6H2,1H3,(H,15,16)
InChI Key:
RDISIAAAWVDPMV-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)c(c[nH]2)CC(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties