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869947-43-3 | 2-(3-ACETYL-1H-INDOL-1-YL)PROPANOIC ACID
CAS No: 869947-43-3 Catalog No: AG004NWA MDL No:MFCD07394059
Product Description
Catalog Number:
AG004NWA
Chemical Name:
2-(3-ACETYL-1H-INDOL-1-YL)PROPANOIC ACID
CAS Number:
869947-43-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD07394059
IUPAC Name:
2-(3-acetylindol-1-yl)propanoic acid
InChI:
InChI=1S/C13H13NO3/c1-8(13(16)17)14-7-11(9(2)15)10-5-3-4-6-12(10)14/h3-8H,1-2H3,(H,16,17)
InChI Key:
UTUHECCDUKQQNB-UHFFFAOYSA-N
SMILES:
CC(n1cc(c2c1cccc2)C(=O)C)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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