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40747-13-5 | 1-(1H-indol-3-yl)-1-ethanone oxime
CAS No: 40747-13-5 Catalog No: AG00J71H MDL No:MFCD00509588
Product Description
Catalog Number:
AG00J71H
Chemical Name:
1-(1H-indol-3-yl)-1-ethanone oxime
CAS Number:
40747-13-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00509588
IUPAC Name:
(NZ)-N-[1-(1H-indol-3-yl)ethylidene]hydroxylamine
InChI:
InChI=1S/C10H10N2O/c1-7(12-13)9-6-11-10-5-3-2-4-8(9)10/h2-6,11,13H,1H3/b12-7-
InChI Key:
ZUYHZNAHKFXLAO-GHXNOFRVSA-N
SMILES:
O/N=C(\c1c[nH]c2c1cccc2)/C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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