Methyl (2E)-3-(3-nitrophenyl)-2-propenoate

HCID 5354136CAS 1664-59-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIKey
DKQXESBKFCYESZ-AATRIKPKSA-N
Molecular formula
C10H9NO4
Average molar mass
207.18 g/mol
Monoisotopic mass
207.05315777

Names & identifiers

Preferred name
Methyl (2E)-3-(3-nitrophenyl)-2-propenoate
IUPAC
methyl (E)-3-(3-nitrophenyl)prop-2-enoate
English name
methyl (E)-m-nitrocinnamate
Molecular formula
C10H9NO4
Molecular weight
207.18

Names & synonyms

659-04-1Methyl (E)-m-nitrocinnamateMethyl (2E)-3-(3-nitrophenyl)-2-propenoateDTXSID701267210RefChem:1089181DTXCID201697852211-529-3(E)-methyl 3-(3-nitrophenyl)acrylate1664-59-1Methyl 3-(3-nitrophenyl)acrylateMethyl (E)-3-(3-nitrophenyl)acrylate3-(3-Nitro-phenyl)-acrylic acid methyl ester
Show more names
m-Nitrocinnamic acid methyl ester3-Nitrocinnamic acid methyl esterMethyl 3-(3-nitrophenyl)prop-2-enoate3-Nitro-trans-cinnamic acid methyl ester(E)-3-(3-Nitrophenyl)acrylic acid methyl ester
methyl (E)-3-(3-nitrophenyl)prop-2-enoateMethyl (E)-3-(3-nitrophenyl)-2-propenoatemethyl (2E)-3-(3-nitrophenyl)prop-2-enoateMFCD000245703-(3-Nitrophenyl)acrylic acid methyl ester2-Propenoic acid, 3-(3-nitrophenyl)-, methyl esterMETHYL 3-NITROCINNAMATE2-Propenoic acid, 3-(3-nitrophenyl)-, methyl ester, (2E)-

Database identifiers

CAS
1664-59-1、659-04-1
PubChem CID
5354136
DTXSID
DTXSID701267210
ChEMBL
CHEMBL1774695
UNII
46JM4QD6TL
EC Number
211-529-3
Nikkaji
J95.046G

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
125.3 °C · 125.3°C
Boiling point
346.2 °C · 346.2°C (rough estimate)
Density
1.3377 · 1.3377 (rough estimate)
refractive index
1.531 · 1.5310 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330

Chemistry & industry

Upstream & downstream products

Suppliers33 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

Loading…