[(E)-(4-methoxyphenyl)methylideneamino]carbamic acid

Base Information

• Chemical Name: [(E)-(4-methoxyphenyl)methylideneamino]carbamic acid
• CAS No.: 6641-57-2
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• NSC Number: 47652
• ChEMBL ID: CHEMBL1978391
• Mol file: 6641-57-2.mol

Synonyms:NSC47652;NSC-47652;SCHEMBL2491390;CHEMBL1978391;6641-57-2;NCI47652;CCG-36543

Chemical Property of [(E)-(4-methoxyphenyl)methylideneamino]carbamic acid

Chemical Property:

• PSA: 70.92000
• Density: 1.22g/cm³
• LogP: 1.68760
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=NNC(=O)O
• Isomeric SMILES: COC1=CC=C(C=C1)/C=N/NC(=O)O

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