Tyrphostin A46

C10H8N2O3CAS 122520-85-8204.18 g/mol

Open in Covalent MOL file
NONH2OHOH
AlkeneAmideNitrilePhenol

Properties

Molecular formula
C10H8N2O3
Molar mass
204.18 g/mol
Exact mass
204.0535 Da
logP
0.49Crippen estimate
Polar surface area
107.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
122520-85-8
SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)O)O
InChIKey
USOXQZNJFMKTKJ-XVNBXDOJSA-N
InChI
InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+

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Names and synonyms

1 names
  • Ag 99

Work with Tyrphostin A46

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tyrphostin 23118409-57-759 % similar Ag 490134036-52-557 % similar (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-851 % similar α-Cyano-4-hydroxycinnamic acid28166-41-843 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-343 % similar Tyrphostin ag 126118409-62-442 % similar 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-940 % similar α-Cyanocinnamic acid1011-92-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-9 2-Methyl-5-nitro-1H-indole-3-carbaldehyde3558-17-6 6-Methoxy-8-nitroquinoline85-81-4

Elsewhere

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