Basic information
- CAS
153938-40-0- Standard SMILES
COC(=O)c1cccc(OCC#N)c1- InChIKey
NDUSYQITXZHUGU-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- Methyl 3-(cyanomethoxy)benzoate
- IUPAC
- methyl 3-(cyanomethoxy)benzoate
- English name
- Methyl 3-(cyanomethoxy)benzoate
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
methyl 3-(cyanomethoxy)benzoate153938-40-0NDUSYQITXZHUGU-UHFFFAOYSA-DTXSID00565361RefChem:354746DTXCID60516137InChI=1/C10H9NO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,6H2,1H3MFCD04038043Benzoic acid,3-(cyanomethoxy)-, methyl esterBenzoic acid, 3-(cyanomethoxy)-, methyl estermethyl 3-cyanomethoxybenzoateSCHEMBL826468
Show more names
methyl 3-(cyanomethyloxy)benzoate
methyl3-(cyanomethoxy)benzoateNDUSYQITXZHUGU-UHFFFAOYSA-NALBB-025416SBB072509AKOS005209151LS-08547ST083308H35128
Database identifiers
- CAS
153938-40-0- PubChem CID
- 14917017
- DTXSID
DTXSID00565361- Nikkaji
- J2.644.710K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
吉林中科研伸科技有限公司18143011203 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
9 records
Compound notes
Loading…