CAS: 4439-02-5
이름: 2-(1,3-benzodioxol-5-yl)acetonitrile
SMILES:
N#CCc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H7NO2
Molecular weight
161.16
Exact mass
161.0477
XLogP
1.48
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
41.88
Supplementary Information
InChIKey: ZQPBOYASBNAXOZ-UHFFFAOYSA-N
동의어
4439-02-53,4-(Methylenedioxy)phenylacetonitrile1,3-Benzodioxole-5-acetonitrileDTXSID50196149EINECS 224-655-9AI3-21056RefChem:4857991,3Benzodioxole5acetonitrileDTXCID10118640224-655-93,4-Methylenedioxyphenylacetonitrile2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile2-(1,3-benzodioxol-5-yl)acetonitrile3,4-Methylenedioxybenzyl Cyanide2-(2H-1,3-benzodioxol-5-yl)acetonitrileMFCD00005835Homopiperonylonitrile443-92-5[3,4-(methylenedioxy)phenyl]acetonitrileHomopiperonylnitrile3,4-methylenedioxybenzylcyanidepiperonyl cyanide1,3-Benzodioxol-5-ylacetonitrilePiperonylacetonitrileL55KXL9MTLBenzodioxole-5-acetonitrile927-38-8SCHEMBL141712(Benzodioxol-5-yl)acetonitrileSCHEMBL7869013
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