Cas no 25567-10-6 (Benzoic acid, methyl-)
Benzoic acid, methyl- structure
Product Name:Benzoic acid, methyl-
Benzoic acid, methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, methyl-
- toluic acid
- MFCD00002477
- J-003905
- o-Toluate
- Ortho methyl benzoic acid
- Orthotoluic acid
- ortho-toluic acid
- UNII-9NR3033Y0U
- Z104495626
- SMR001224517
- methylbenzoic acid
- CHEMBL114957
- NCGC00090891-01
- BRN 1072103
- 2-methyl-benzoate
- NCGC00257640-01
- 2-Benzoate
- o-Toluylic acid
- BENZOIC ACID,2-METHYL
- o-Toluic acid, puriss., >=99.5% (T)
- CHEBI:36632
- HMS3039K11
- HY-41494
- InChI=1/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10
- NSC-2193
- 2-Methylbenzoic acid
- DTXSID6026161
- 118-90-1
- EINECS 204-284-9
- I889W3548N
- AKOS000119477
- o-ToluicAcid-13C2
- FT-0649690
- D77873
- EINECS 247-107-0
- AS-10809
- Q3291707
- NSC2193
- AB-131/40195545
- bmse000557
- 9NR3033Y0U
- o-Methylbenzoate
- 2-Methyl benzoic acid
- orthotoluate
- O-TOLUIC ACID [MI]
- Tox21_200086
- NS00009693
- O-TOLUIC ACID
- o-Toluic acid, 99%
- F2191-0132
- EN300-21374
- SCHEMBL10444025
- o-Methylbenzoic acid
- O-Toluylate
- 2-methyl benzoate
- C07215
- 2-Benzoic acid
- 2-Methyl-Benzoic Acid
- Benzoic acid, 2-methyl-
- AI3-15625
- FT-0773535
- AC-5963
- CS-W020111
- CAS-118-90-1
- SY008811
- 2-Toluic acid
- 2-Methylbenzoicacid
- T0292
- s6217
- SCHEMBL4152
- NCGC00090891-02
- 3SK
- UNII-I889W3548N
- DTXCID006161
- 25567-10-6
- MLS002152917
- NSC 2193
- TOLUIC ACID, O-
- WLN: QVR B1
-
- Inchi： 1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key： ZWLPBLYKEWSWPD-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 136.05244
- Monoisotopic Mass: 136.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 131
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 2.46
Benzoic acid, methyl- Related Literature
-
Hiroko Koyama,Zhouen Zhang,Ryosuke Ijuin,Siqin,Jeongwan Son,Yuma Hatta,Masashi Ohta,Masahiro Wakao,Takamitsu Hosoya,Hisashi Doi,Masaaki Suzuki RSC Adv. 2013 3 9391
-
2. Index of subjects, 1934
-
3. Formula index
-
4. Relationships between nitro group reduction potentials and torsion angles in di-ortho-substituted nitrobenzenes; a crystallographic and oxygen-17 NMR studyMaruta Boyd,Ho H. Lee,Robert F. Anderson,William A. Denny J. Chem. Soc. Perkin Trans. 2 1994 291
-
5. NotesJ. W. Cook,Leon Hunter,R. Schoental,A. Audsley,F. R. Goss,G. Baddeley,W. R. Boon,G. R. Clemo,H. Koeing,D. H. R. Barton,G. A. Schmeidler,Herbert H. Hodgson,John Ratcliffe J. Chem. Soc. 1949 S228
25567-10-6 (Benzoic acid, methyl-) Related Products
- 119-67-5(2-Carboxybenzaldehyde)
- 877-24-7(Potassium Hydrogen Phthalate)
- 4316-23-8(4-Methylphthalic acid)
- 480-63-7(2,4,6-Trimethylbenzoic acid)
- 569-51-7(1,2,3-Benzenetricarboxylic acid)
- 611-01-8(2,4-Dimethylbenzoic acid)
- 88-99-3(Phthalic acid)
- 610-72-0(2,5-Dimethylbenzoic acid)
- 619-04-5(3,4-Dimethylbenzoic acid)
- 603-79-2(2,3-Dimethylbenzoic Acid)
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