Basic information
- CAS
57543-72-3- Standard SMILES
COc1cccc2c1C=C(C#N)CO2- InChIKey
KSVQCKSTIKMJNF-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-
- IUPAC
- 5-methoxy-2H-chromene-3-carbonitrile
- English name
- 5-Methoxy-2H-1-benzopyran-3-carbonitrile
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
5-Methoxy-2H-1-benzopyran-3-carbonitrile57543-72-3BRN 13729202H-1-BENZOPYRAN-3-CARBONITRILE, 5-METHOXY-DTXSID702061735-18-07-00360 (Beilstein Handbook Reference)RefChem:268307DTXCID701286645-methoxy-2H-chromene-3-carbonitrileSCHEMBL5762983KSVQCKSTIKMJNF-UHFFFAOYSA-NMFCD01662397
Show more names
DB-296219
Database identifiers
- CAS
57543-72-3- PubChem CID
- 42441
- DTXSID
DTXSID70206173- Nikkaji
- J132.062I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 289
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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