3-Chlorophenylglycolic acid
1. Introduction of3-Chlorophenylglycolic acid
The 3-Chlorophenylglycolic acid, with its CAS NO16273-37-3, is a kind ofwhite crystal. It has
1. Introduction of 3-Chlorophenylglycolic acid
The 3-Chlorophenylglycolic acid, with its CAS NO 16273-37-3, is a kind of white crystal. It has synonyms of Pentanoicacid, 2-propyl-, magnesium salt (9CI);2-(3-Chlorophenyl)-2-hydroxyacetic acid (3-Chlorophenyl)(hydroxy)acetic acid. 3-Chlorophenylglycolic acid should be stored in shady cool warehouse.
2. Properties of 3-Chlorophenylglycolic acid
(1) XLogP3-AA 1.5 (2) H-Bond Don2 (3) H-Bond Accept3
(4) Rotatable Bond Count 2 (5) Exact Mass 186.008372 (6) MonoIsotopic Mass 186.008372
(7) Topological Polar Surface Area 57.5 (8) Heavy Atom Count 12 (9) Complexity 172
(10) Undefined Atom Stereocenter Count 1 (11) Covalently-Bonded Unit Count 1
(12) Feature 3D AcceptCount 3 (13) Feature 3D DonCount 1 (14) Feature 3D Anion Count 1
(15) Feature 3D Ring Count 1 (16) Effective RotCount 2 (17) Conformer Sampling RMSD 0.6
(18) CID Conformer Count 11
3. Structure descriptors of 3-Chlorophenylglycolic acid
IUPAC Name: 2-(3-chlorophenyl)-2-hydroxyacetic acid
InChI: InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey: SAMVPMGKGGLIPF-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC(=C1)Cl)C(C(=O)O)O
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