Basic information
- CAS
33904-01-7- Standard SMILES
[C-]#[N+]c1ccc(OC)c(OC)c1- InChIKey
UIWYJZOWWULGKU-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 4-Isocyano-1,2-dimethoxybenzene
- IUPAC
- 4-isocyano-1,2-dimethoxybenzene
- English name
- Benzene, 4-isocyano-1,2-dimethoxy- (9CI)
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17326
Names & synonyms
4-isocyano-1,2-dimethoxybenzene33904-01-73,4-Dimethoxyphenylisocyanide3,4-Dimethoxyphenyl isocyanide4-isocyano-1,2-dimethoxy-benzeneSCHEMBL5856821DTXSID20332310UIWYJZOWWULGKU-UHFFFAOYSA-NMFCD04117584Benzene, 4-isocyano-1,2-dimethoxy-AKOS006293687DB-285335
Show more names
Benzene, 4-isocyano-1,2-dimethoxy- (9CI)
EN300-1856882
Database identifiers
- CAS
33904-01-7- PubChem CID
- 449767
- DTXSID
DTXSID20332310- Nikkaji
- J2.561.723A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 22.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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