(βS)-2-Chloro-β-hydroxybenzenepropanoic Acid - CAS 914086-00-3
Catalog: |
BB062352 |
Product Name: |
(βS)-2-Chloro-β-hydroxybenzenepropanoic Acid |
CAS: |
914086-00-3 |
Synonyms: |
(S)-3-(2-Chlorophenyl)-3-hydroxypropanoic Acid; (S)-3-(2-Chlorophenyl)-3-hydroxypropionic Acid |
IUPAC Name: | (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid |
Description: | (βS)-2-Chloro-β-hydroxybenzenepropanoic Acid (cas# 914086-00-3) is a compound useful in organic synthesis. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(CC(=O)O)O)Cl |
InChI: | InChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1 |
InChI Key: | XDILSCIPACPCMZ-QMMMGPOBSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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