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113975-75-0 | 1H-Indole-3-acetic acid, α-(hydroxyimino)-, methyl ester
CAS No: 113975-75-0 Catalog No: AG000A7T MDL No:
Product Description
Catalog Number:
AG000A7T
Chemical Name:
1H-Indole-3-acetic acid, α-(hydroxyimino)-, methyl ester
CAS Number:
113975-75-0
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl (2E)-2-hydroxyimino-2-(1H-indol-3-yl)acetate
InChI:
InChI=1S/C11H10N2O3/c1-16-11(14)10(13-15)8-6-12-9-5-3-2-4-7(8)9/h2-6,12,15H,1H3/b13-10+
InChI Key:
GTPFAXDSMSVVGQ-JLHYYAGUSA-N
SMILES:
ON=C(c1c[nH]c2c1cccc2)C(=O)OC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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