| CAS Number: 277331-16-5 3-(hydroxymethyl)-2-methylbenzoic acid |
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| General Information | ||||||
| Product Number: 277331165
CAS Registry Number: 277331-16-5
Name:
Benzoic acid, 3-(hydroxymethyl)-2-methyl-
Chemical Formula: C9H10O3
Exact Mass: 166.06
Molecular Weight: 166.17
m/z: 166.06 (100.0%), 167.07 (10.0%), 168.07 (1.1%)
Elemental Analysis: C, 65.05; H, 6.07; O, 28.88
InChI: InChI=1S/C20H20N4O3/c1-23-8-7-13-9-15(5-6-16(13)23)24-12-21-22-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-12H,1-4H3
InChIKey: TXHKYLOYOGMNFE-UHFFFAOYSA-N
Canonical SMILES : CN1C=CC2=C1C=CC(=C2)N3C=NN=C3C4=CC(=C(C(=C4)OC)OC)OC
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013067248 A1 20130510. PCT Int. Appl. (2011), WO 2011140425 A1 20111110. |
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