4-Hydroxyphenylglycolic acid CAS NO.1198-84-1

Keyuan Chemical Co., Ltd. specialized in the production for pigments, pharmaceuticals and other fine chemical intermediates, is one of Medium-sized chemical enterprises which integrates research, development and production. Its main products are including L-Serine (CAS NO.: 56-45-1) and so on.

1. Introduction of 4-Hydroxyphenylglycolic acid

The 4-Hydroxyphenylglycolic acid, with its CAS NO 1198-84-1,is a kind of Light red powder. It has synonyms of Mandelicacid, p-hydroxy- (6CI,7CI,8CI);(RS)-p-Hydroxymandelic acid;( à)-4-Hydroxymandelic acid;( à)-p-Hydroxymandelic acid;( à)-a,4-Dihydroxybenzeneacetic acid;2-(4-Hydroxyphenyl)-2-hydroxyacetic acid;4-Hydroxy-DL-mandelic acid;4-Hydroxymandelic acid;4-Hydroxyphenylglycolic acid;DL-4-Hydroxymandelicacid;DL-p-Hydroxymandelic acid;DL-p-Hydroxyphenylglycolic acid;p-Hydroxymandelicacid p-Hydroxyphenylglycolic acid.

2. Properties of 4-Hydroxyphenylglycolic acid

(1) XLogP3 0.3  (2) H-Bond Don3  (3) H-Bond Accept4
(4) Rotatable Bond Count 2  (5) Tautomer Count 2  (6) Exact Mass 168.042259
(7) MonoIsotopic Mass 168.042259 (8) Topological Polar Surface Area 77.8
(9) Heavy Atom Count 12 (10) Complexity 160 (11) Undefined Atom Stereocenter Count 1
(12) Covalently-Bonded Unit Count 1 (13) Feature 3D AcceptCount 3 (14) Feature 3D DonCount 2
(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 4

3. Structure descriptors of 4-Hydroxyphenylglycolic acid

IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid

InChI: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)

InChIKey: YHXHKYRQLYQUIH-UHFFFAOYSA-N

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