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Basic information
- CAS
126079-16-1- Standard SMILES
COC(=O)CN=Cc1ccc(OC)cc1- InChIKey
VBEIMDCNFQCLNL-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
Names & identifiers
- Preferred name
- N-(4-Methoxybenzylidene)glycine methyl ester
- IUPAC
- methyl 2-[(4-methoxyphenyl)methylideneamino]acetate
Names & synonyms
N-(4-Methoxybenzylidene)glycine methyl ester126079-16-1RefChem:827755662-098-7Methyl (E)-N-[(p-methoxyphenyl)methylene]glycinateSCHEMBL1769120SCHEMBL1769121SCHEMBL23345343VBEIMDCNFQCLNL-KPKJPENVSA-NVBEIMDCNFQCLNL-UHFFFAOYSA-NAKOS003684874(E)-Methyl 2-(4-methoxybenzylideneamino)acetate
Show more names
Methyl [(1E)-(4-methoxyphenyl)methyleneamino]acetate[(4-methoxy-benzylidene)-amino]-acetic acid methyl ester
Database identifiers
- CAS
126079-16-1- PubChem CID
- 4193973
- EC Number
- 662-098-7
- Nikkaji
- J1.197.059A、J1.986.993H、J1.986.996B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
6 records
Compound notes
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