(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)-

Technical Data

Safety and Hazards

Computed Properties

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)

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Related Functional Groups

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5-BROMO-1,3-DIHYDROXYMETHYLBENZENE

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