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Acetic acid, 2-(2-methoxyphenyl)hydrazide structure
Acetic acid, 2-(2-methoxyphenyl)hydrazide structure

Acetic acid, 2-(2-methoxyphenyl)hydrazide

Iupac Name:sodium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CAS No.:37839-81-9
Molecular Weight:351.191
1. Names and Identifiers
1.1 Name
Acetic acid, 2-(2-methoxyphenyl)hydrazide
1.2 Synonyms

N'-(2-Methoxyphenyl)Acetohydrazide N-(2-Methoxyphenyl)Acetohydrazide(WXC02009)

1.3 CAS No.
37839-81-9
1.4 CID
23669773
1.5 Molecular Formula
C22H21NO3 (isomer)
1.6 Inchi
InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
1.7 InChkey
BXJBFCKTIWRKMQ-MCDZGGTQSA-M
1.8 Canonical Smiles
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]
1.9 Isomers Smiles
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]
2. 3D Conformer
3. Properties
3.1 Melting Point
219 - 220 C
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
26-36
4.3 Transport
100mg,
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:351.191g/mol
  • Molecular Formula:C22H21NO3
  • Compound Is Canonicalized:True
  • Exact Mass:351.034
  • Monoisotopic Mass:351.034
  • Complexity:504
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:158A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzuCIAAAAAAAAAAAAAAAAAAWJAAAAsSAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCg QQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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