Chem
J-GLOBAL ID:200907085369135258
Nikkaji number:J2.703.739I
3-Methoxy-7-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
7-(3-ヒドロキシプロピル)-3-メトキシビシクロ[4.2.0]オクタ-1,3,5-トリエン-7-カルボニトリル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C13 H15 NO2
Molecular formula furigana:
C13-H15-N-O2
Molecular weight:
217.268
InChI:
InChI=1S/C13H15NO2/c1-16-11-3-4-12-10(7-11)8-13(12,9-14)5-2-6-15/h3-4,7,15H,2,5-6,8H2,1H3
InChI key:
NLERSPFGQVYHMH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(CC2(CCCO)C#N)c1
Systematic name (3):
3-メトキシ-7-(3-ヒドロキシプロピル)ビシクロ[4.2.0]オクタ-1(6),2,4-トリエン-7-カルボニトリル
7-(3-ヒドロキシプロピル)-3-メトキシビシクロ[4.2.0]オクタ-1,3,5-トリエン-7-カルボニトリル
7-(3-hydroxypropyl)-3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Other name (1):
3-Methoxy-7-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
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