Basic information
- CAS
82575-52-8- Standard SMILES
N#C/C=C/c1ccc(O)cc1- InChIKey
RZROIDXECXAOTO-OWOJBTEDSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276385
Names & identifiers
- Preferred name
- p-Hydroxycinnamonitrile
- IUPAC
- (E)-3-(4-hydroxyphenyl)prop-2-enenitrile
- English name
- p-Hydroxycinnamylnitrile
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
p-Hydroxycinnamonitrile82575-52-8P-Hydroxycinnamylnitrile(E)-3-(4-hydroxyphenyl)prop-2-enenitrile82628-73-7(E)-3-(4-hydroxyphenyl)acrylonitrile(2E)-3-(4-hydroxyphenyl)prop-2-enenitrileEINECS 279-999-2MFCD00043984CHEMBL75718BDBM4379SCHEMBL6396860
Show more names
3-(4-Hydroxyphenyl)propenenitrile2-Propenenitrile, 3-(4-hydroxyphenyl)-
RZROIDXECXAOTO-OWOJBTEDSA-NDTXSID601270250benzylidenemalononitrile (BMN) deriv. 64SY522853(2E)-3-(4-Hydroxyphenyl)-2-propenenitrileNS00060307H81095
Database identifiers
- CAS
82575-52-8、82628-73-7- PubChem CID
- 5328811
- DTXSID
DTXSID601270250- ChEMBL
CHEMBL75718- EC Number
- 279-999-2
- Nikkaji
- J1.269.232C、J320.416B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Chemistry & industry
Suppliers3 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
OTSUKA(06) 6946 6231
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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