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88461-33-0

88461-33-0 | 1H-Indole-3-acetic acid, 1-formyl-

CAS No: 88461-33-0 Catalog No: AG004CNF MDL No:

Product Description

Catalog Number:
AG004CNF
Chemical Name:
1H-Indole-3-acetic acid, 1-formyl-
CAS Number:
88461-33-0
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
2-(1-formylindol-3-yl)acetic acid
InChI:
InChI=1S/C11H9NO3/c13-7-12-6-8(5-11(14)15)9-3-1-2-4-10(9)12/h1-4,6-7H,5H2,(H,14,15)
InChI Key:
NUFMNDSHCFKNAN-UHFFFAOYSA-N
SMILES:
O=Cn1cc(c2c1cccc2)CC(=O)O

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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