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2592-05-4 | 1H-Indole-3-carboxaldehyde, oxime
CAS No: 2592-05-4 Catalog No: AG002R28 MDL No:MFCD00022737
Product Description
Catalog Number:
AG002R28
Chemical Name:
1H-Indole-3-carboxaldehyde, oxime
CAS Number:
2592-05-4
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00022737
IUPAC Name:
(NE)-N-(1H-indol-3-ylmethylidene)hydroxylamine
InChI:
InChI=1S/C9H8N2O/c12-11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10,12H/b11-6+
InChI Key:
BWEFEUTYNRSOKX-IZZDOVSWSA-N
SMILES:
ON=Cc1c[nH]c2c1cccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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