CAS: 845616-02-6
名称: 5-methylsulfonyl-2-propan-2-yloxybenzoic acid
SMILES:
CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OMolecular Processing
Molecular formula
C11H14O5S
Molecular weight
258.29
Exact mass
258.0562
XLogP
1.58
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
62.28
Supplementary Information
InChIKey: NWXBHCBBFZOTOQ-UHFFFAOYSA-N
同義語
845616-02-65-Methanesulfonyl-2-(propan-2-yloxy)benzoic acid2-Isopropoxy-5-methylsulfonylbenzoic acid5-methylsulfonyl-2-propan-2-yloxybenzoic acid2-ISOPROPOXY-5-(METHYLSULFONYL)BENZOIC ACIDSCHEMBL1097386NWXBHCBBFZOTOQ-UHFFFAOYSA-NDTXSID401235355VIB61602AT215302-isopropoxy-5-methanesulfonyl-benzoic acidDB-164438EN300-1262405-Methanesulfonyl-2-(propan-2-yloxy)benzoicacid2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid5-(Methanesulfonyl)-2-[(propan-2-yl)oxy]benzoic acid
217 件の反応に参加→