CAS: 632-46-2
Название: 2,6-dimethylbenzoic acid
SMILES:
Cc1cccc(C)c1C(=O)OMolecular Processing
Molecular formula
C9H10O2
Molecular weight
150.18
Exact mass
150.0681
XLogP
2
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.88
Supplementary Information
InChIKey: HCBHQDKBSKYGCK-UHFFFAOYSA-N
Синонимы
2,6-DIMETHYLBENZOIC ACID632-46-2Benzoic acid, 2,6-dimethyl-2,6-Dimethylbenzoicacid2,6-DiMethyl-Benzoic AcidMFCD00002483Thiophanate Ethyl-d102,6-Dimethylbenzoic Acid-d62,6-dimethylbenzene carboxylic acid58310-17-1m-Xylene-2-carboxylic AcidBRN 1863791EINECS 211-177-02,6-dimethyl benzoic acid22KHJ5PY4KSCHEMBL355272SCHEMBL5021872-Carboxy-1,3-dimethylbenzeneSCHEMBL4278064SCHEMBL4730604CHEBI:64827DTXSID102125512,6-Dimethylbenzoic acid, 97%CL8016SBB007881AKOS006221869AC-1227CS-W017744FD22359FS-1055
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