CAS: 96-54-8
이름: 1-methylpyrrole
SMILES:
CN1C=CC=C1Molecular Processing
Molecular formula
C5H7N
Molecular weight
81.12
Exact mass
81.0578
XLogP
1.03
TPSA
4.93
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
6
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
0.2
Molar refractivity
25.41
Supplementary Information
InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N
동의어
1-Methylpyrrole1-Methyl-1H-pyrroleN-METHYLPYRROLE96-54-81H-Pyrrole, 1-methyl-Pyrrole, 1-methyl-DTXSID3052648NG5GPN98ZGNSC-65440DTXCID4031221RefChem:76411202-513-7N-Methyl pyrroleMethylpyrroleN-Methylpyrrol1-methylpyrrolMFCD000053451257247-93-0CCRIS 2934EINECS 202-513-7UNII-NG5GPN98ZGNSC 654401-Methyl-1H-pyrrole; 1-Methylpyrrole; NSC 65440;N-methyl-pyrrole1-methyl-pyrrole1-Methylpyrrole, Methylpyrrole, Pyrrole, 1-methyl-, N-METHYLPYRROLE, 1H-Pyrrole, 1-methyl-, 1-Methyl-1H-pyrrole, CCRIS 2934, M78801_ALDRICH, W509973_ALDRICH, 69100_FLUKA, EINECS 202-513-7, NSC 65440, NSC65440, ZINC01692446, LS-136988, 96-54-8, InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H, MR3N-Methylpyrrole, 99%SCHEMBL1380SCHEMBL1381SCHEMBL1470
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