Methyl 2-cyano-3-ethoxy-2-propenoate

HCID 101455

Basic information

CAS
29096-99-9
Standard SMILES
CCOC=C(C#N)C(=O)OC
InChIKey
FYXVHJJZGRTONS-UHFFFAOYSA-N
Molecular formula
C7H9NO3
Average molar mass
155.15 g/mol
Monoisotopic mass
155.05824315

Overview

See also: Methyl 2-cyano-3-ethoxyacrylate (annotation moved to).

Names & identifiers

Preferred name
Methyl 2-cyano-3-ethoxy-2-propenoate
IUPAC
methyl 2-cyano-3-ethoxyprop-2-enoate
English name
methyl 2-cyano-3-ethoxyacrylate
Molecular formula
C7H9NO3
Molecular weight
155.15

Names & synonyms

DTXSID101290257Methyl 2-cyano-3-ethoxy-2-propenoateRefChem:814352DTXCID30172087029096-99-9methyl 2-cyano-3-ethoxyprop-2-enoate2-Propenoic acid, 2-cyano-3-ethoxy-, methyl esterSCHEMBL2671868FYXVHJJZGRTONS-UHFFFAOYSA-Nmethyl 2-cyano-3-ethoxy-prop-2-enoatemethyl 2-ethoxymethylene-2-cyanoacetateethoxymethylenecyanoacetic acid methyl ester
Show more names
Nsc522188NSC 617607methyl 2-cyano-3-ethoxyacrylate(E)-Methyl 2-cyano-3-ethoxyacrylateMethyl cyano(ethoxymethylene)acetateMethyl cyano(ethoxymethylidene)acetateMethyl 2-(ethoxymethylene)-2-cyanoacetate2-Cyano-3-ethoxyacrylic acid methyl ester2-Cyano-3-ethoxypropenoic acid methyl ester
2-Cyano-3-ethoxy-2-propenoic acid, methyl esterNSC617607, NSC522188, CID5385921, 29096-99-9

Database identifiers

CAS
29096-99-9
PubChem CID
101455
DTXSID
DTXSID101290257

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Boiling point
99 ℃ · 99℃ (0.3 Torr)
Density
1.102 · 1.102±0.06 g/cm3(Predicted)
FDA UNII
763 TSD3BD5 · 763TSD3BD5
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers10 total

上海康恩博医药科技有限公司17510465506 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]

Related reactions

5 records

Compound notes

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