(R)-3-(Benzyloxy)-2-hydroxypropanoicacid - CAS 130111-08-9
Catalog: |
BB054693 |
Product Name: |
(R)-3-(Benzyloxy)-2-hydroxypropanoicacid |
CAS: |
130111-08-9 |
Synonyms: |
(R)-2-Hydroxy-3-(benzyloxy)propanoic acid; (2R)-3-(benzyloxy)-2-hydroxypropanoic acid; Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, (2R)- |
Related CAS: | 374936-90-0 (rac-isomer) 127744-27-8 (S-isomer)
|
IUPAC Name: | (2R)-2-hydroxy-3-phenylmethoxypropanoic acid |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | C1=CC=C(C=C1)COCC(C(=O)O)O |
InChI: | InChI=1S/C10H12O4/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1 |
InChI Key: | LYSUHDDCSREYHC-SECBINFHSA-N |
Boiling Point: | 387.0±32.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.272±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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