3,4-Dihydroxymandelic acid, 3,4-Dihydroxymandelic acid 98% ,3,4-Dihydroxymandelic acid supply, 3,4-Dihydroxymandelic acid buy CAS NO.775-01-9

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1. Introduction of 3,4-Dihydroxymandelic acid

The 3,4-Dihydroxymandelic acid, with its CAS NO 775-01-9, is a kind of fine chemical. It has synonyms of Mandelicacid, 3,4-dihydroxy- (6CI,8CI);(3,4-Dihydroxyphenyl)glycolic acid;( à)-3,4-Dihydroxymandelic acid;2-(3,4-Dihydroxyphenyl)-2-hydroxyacetic acid;3,4-Dihydroxy-DL-mandelic acid;3,4-Dihydroxymandelic acid;3',4'-Dihydroxymandelic acid;DL-3,4-Dihydroxymadelic acid;DL-3,4-Dihydroxymandelic acid;DOMA a,3,4-Trihydroxybenzeneacetic acid.

2. Properties of 3,4-Dihydroxymandelic acid

(1) XLogP3 -0.6  (2) H-Bond Don4  (3) H-Bond Accept5
(4) Rotatable Bond Count 2  (5) Tautomer Count 10  (6) Exact Mass 184.037173
(7) MonoIsotopic Mass 184.037173 (8) Topological Polar Surface Area 98  (9) Heavy Atom Count 13
(10) Complexity 193  (11) Undefined Atom Stereocenter Count 1 (12) Covalently-Bonded Unit Count 1
(13) Feature 3D AcceptCount 3 (14) Feature 3D DonCount 3
(15) Feature 3D Anion Count 1  (16) Feature 3D Ring Count 1  (17) Effective RotCount 2
(18) Conformer Sampling RMSD 0.6 (19) CID Conformer Count 9
 

3. Structure descriptors of 3,4-Dihydroxymandelic acid

IUPAC Name: 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)

InChIKey: RGHMISIYKIHAJW-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=C(C=C1C(C(=O)O)O)O)O