Structure Info
- Chemspace ID
- CSMB00000046608 (Enamine MADE)
- CAS
- 51129-66-9
- MFCD
- MFCD12403566
- IUPAC Name
- ethyl 5-(cyanomethyl)furan-2-carboxylate
- Mol formula
- C9H9NO3
- Mol weight
- 179 Da
- Catalog Number(s)
- 35905, 5561AQ, A159000097, A561987, AA00DLAV, ABC01004828, AG00DLDN, AG180982, AG34035, AO34035, AR00DM2N, BB4LS-BD334518, BBV-39691389, BCA12966, BD334518, CD11113346, CP001145, CSC000046608, FCH1119310, LN03246599, OR942839, SAB-118181, SY336577, WS-00720, Y1247581, ZXC183875
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.01
- Heavy atoms count
- 13
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 63
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000046608
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