3- (BENZYLOXY) -2-HYDROXYPROPANOIC ACID

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CAS Number

130111-08-9

Molecular Formula

C10H12O4

Molecular Weight

196.2

Chemical Information

(2R)-3-(benzyloxy)-2-hydroxypropanoic acid

CAS Number	130111-08-9
PubChem CID	14810077
IUPAC Name	(2R)-2-hydroxy-3-phenylmethoxypropanoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.5
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	175

SMILES

C1=CC=C(C=C1)COC[C@H](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

InChIKey

LYSUHDDCSREYHC-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 130111-08-9

CID: 14810077

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH438979	3,3,3-trifluoro-2-hydroxypropanoic acid
JH920333	(S) -2-Hydroxypropanoic acid zinc complex
JH915822	2,6-Bis (benzyloxy) pyridine-3-boronic acid
JH919968	(2S,3R) -2-{[ (benzyloxy) carbonyl]amino}-3-methoxybutanoic acid
JH149156	2-BENZYLOXY-1,3-PROPANEDIOL
JH920011	(2R,3R) -2-{[ (benzyloxy) carbonyl]amino}-3-methoxybutanoic acid 1
JH366298	4- (Benzyloxy) -5-methoxy-2-nitrobenzoic acid
JH90233	(R) -3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID
JH915665	2- (Benzyloxy) -1-broMo-3-nitrobenzene
JH920602	8- (Benzyloxy) -8-oxooctanoic acid

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