1-Methoxy-3-(2-nitroprop-1-enyl)benzene
Basic information
- CAS
18738-95-9- Standard SMILES
COc1cccc(C=C(C)[N+](=O)[O-])c1- InChIKey
RTHJCENCGDYCIY-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 1-Methoxy-3-(2-nitroprop-1-enyl)benzene
- IUPAC
- 1-methoxy-3-(2-nitroprop-1-enyl)benzene
- English name
- 1-Methoxy-3-(2-nitroprop-1-enyl)benzene
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
1-methoxy-3-(2-nitroprop-1-enyl)benzene18738-95-9DTXSID10345671RefChem:1055698DTXCID00296744Benzene,1-methoxy-3-(2-nitro-1-propen-1-yl)-1-Methoxy-3-(2-nitro-1-propenyl)benzeneMaybridge1_007442SCHEMBL7104674RTHJCENCGDYCIY-UHFFFAOYSA-N1-(m-methoxyphenyl)-2-nitro-1-propeneDB-015686
Show more names
1-(3-METHOXYPHENYL)-2-NITROPROPENE1-(3-Methoxyphenyl)-2-nitroprop-1-ene3'-METHOXY-BETA-METHYL-BETA-NITROSTYRENE1-(3-METHOXYPHENYL)-2-NITROPROPENE, >95%Benzene, 1-methoxy-3-(2-nitro-1-propen-1-yl)-
1-methoxy-3-(2-nitroprop-1-en-1-yl)benzene
Database identifiers
- CAS
18738-95-9- PubChem CID
- 606259
- DTXSID
DTXSID10345671
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 148 · 148-153 °C(Press: 4 Torr)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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