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1018243-08-7 | 1H-Indole-1-acetic acid, 2,3-dihydro-α-oxo-
CAS No: 1018243-08-7 Catalog No: AG0005NF MDL No:MFCD10018450
Product Description
Catalog Number:
AG0005NF
Chemical Name:
1H-Indole-1-acetic acid, 2,3-dihydro-α-oxo-
CAS Number:
1018243-08-7
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD10018450
IUPAC Name:
2-(2,3-dihydroindol-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C10H9NO3/c12-9(10(13)14)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,13,14)
InChI Key:
VFSXKTOUXOEVGL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)N1CCc2c1cccc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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