Primary record
3BDO
- CAS
- 890405-51-3
- PubChem CID
- 16216349
- SMILES
- C1C(C(=O)OC1COC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3
- Molecular Formula
- C18H17NO5
- Molecular Weight
- 327.336
- Exact Mass
- 327.1107
- InChI
- InChI=1S/C18H17NO5/c20-18-14(10-13-6-2-1-3-7-13)11-15(24-18)12-23-17-9-5-4-8-16(17)19(21)22/h1-9,14-15H,10-12H2
- InChIKey
- AXPZIVKEZRHGAS-UHFFFAOYSA-N
- LogP
- 3.148
- TPSA
- 78.67
Names and synonyms
- 3BDO
- 890405-51-3
- 3BDO cpd
- RefChem:911189
- 3-BDO
- 3-benzyl-5-((2-nitrophenoxy)methyl)dihydrofuran-2(3H)-one
- CHEMBL238943
- orb1308724
- 3-benzyl-5-[(2-nitrophenoxy)methyl]oxolan-2-one
- SCHEMBL17595228
- SCHEMBL30015917
- C18H17NO5
- CHEBI:232795
- MFCD30187363
- GLXC-07192
- BCP29764
- EX-A14119
- HY-U00434
- s8317
- 3BDO, >=98% (HPLC)
- AKOS037644985
- AKOS040741002
- CCG-267777
- AS-55804
- CID:16216349
- DA-49569
- PD078299
- SY078089
- SID:137275755
- 3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one