CAS: 620-22-4
名称: 3-methylbenzonitrile
SMILES:
CC1=CC(=CC=C1)C#NMolecular Processing
Molecular formula
C8H7N
Molecular weight
117.15
Exact mass
117.0578
XLogP
1.87
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
35.89
Supplementary Information
InChIKey: BOHCMQZJWOGWTA-UHFFFAOYSA-N
同義語
m-Tolunitrile3-METHYLBENZONITRILE620-22-4m-CyanotolueneBenzonitrile, 3-methyl-3-Cyanotoluene3-Tolunitrilem-Toluonitrilem-Methylbenzonitrilem-Toluenenitrilem-Tolylnitrilem-Tolynitrile1-Methyl-3-cyanobenzene3-ToluenkarbonitrilNitril kyseliny m-toluylove3-Toluenkarbonitril [Czech]NSC 75453CCRIS 4736DTXSID6026167AH2J4VY1AKNitril kyseliny m-toluylove (czech)EINECS 210-631-5AI3-171293-TOLYL CYANIDETOLUNITRILE, M-NSC-75453DTXCID406167mCyanotoluenemToluenenitrilemToluonitrile
22 件の反応に参加→