alpha-Nitro-beta-ethoxyacrylic acid methylester

HCID 53395203

Notes Reactions

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Basic information

CAS: 70290-56-1
Standard SMILES: CCOC=C(C(=O)OC)[N+](=O)[O-]
InChIKey: CLVDISHFCPMLTI-UHFFFAOYSA-N
Molecular formula: C6H9NO5
Average molar mass: 175.14 g/mol

Names & identifiers

Preferred name: alpha-Nitro-beta-ethoxyacrylic acid methylester
IUPAC: methyl 3-ethoxy-2-nitroprop-2-enoate

Names & synonyms

(E)-Methyl 3-ethoxy-2-nitroacrylateSCHEMBL7477379CLVDISHFCPMLTI-UHFFFAOYSA-NDTXSID801203477alpha-nitro-beta-ethoxyacrylic acid methylesteralpha-nitro-beta-ethoxy acrylic acid methylesterMETHYL (2Z)-3-ETHOXY-2-NITROPROP-2-ENOATE

Database identifiers

CAS: 70290-56-1
PubChem CID: 53395203

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 204

Related reactions

15 records

New reaction record

HRID 127497As productuspto-grants-1981_03

HRID 127498As reactantuspto-grants-1981_03

HRID 127506As reactantuspto-grants-1981_03

HRID 314226As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 616263As productuspto-grants-1978_02

HRID 616264As reactantuspto-grants-1978_02

HRID 616272As reactantuspto-grants-1978_02

HRID 1215899As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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