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1018295-36-7 | 1H-Indole-1-acetic acid, 2,3-dihydro-2-methyl-α-oxo-
CAS No: 1018295-36-7 Catalog No: AG0005N8 MDL No:MFCD10018504
Product Description
Catalog Number:
AG0005N8
Chemical Name:
1H-Indole-1-acetic acid, 2,3-dihydro-2-methyl-α-oxo-
CAS Number:
1018295-36-7
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD10018504
IUPAC Name:
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C11H11NO3/c1-7-6-8-4-2-3-5-9(8)12(7)10(13)11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
JGESGOYJOOYVIT-UHFFFAOYSA-N
SMILES:
CC1Cc2c(N1C(=O)C(=O)O)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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