3-Hydroxy-2-methoxy-3-phenylpropanoic acid

CAT: 0127-OR1005230Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1005230Size:100 mg

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CAS Number

730237-11-3

Purity

98%

Smiles

O=C(C(C(C1=CC=CC=C1)O)OC)O

Chemical Information

3-Hydroxy-2-methoxy-3-phenylpropanoic acid

CAS Number	730237-11-3
PubChem CID	176452020
IUPAC Name	3-hydroxy-2-methoxy-3-phenylpropanoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.6
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	187

SMILES

COC(C(C1=CC=CC=C1)O)C(=O)O

InChI

InChI=1S/C10H12O4/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)

InChIKey

DHTJKWHIXFWYML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 730237-11-3

CID: 176452020

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR4935-01	3-Hydroxy-2-phenylpropanoic acid
OR902414-01	3-Hydroxy-3-phenylpropanoic acid
OR73436-01	(R) -3-Hydroxy-2-phenylpropanoic acid
OR1003444	3-Methoxy-3-oxo-2-phenylpropanoic acid
OR87242-01	(S) -3-Hydroxy-2-phenylpropanoic acid
BUP16927-01	(S) -2-Hydroxy-3-phenylpropanoic acid
OR1046732-01	2-Methoxy-2-phenylpropanoic acid
OR13799	2-Amino-3-hydroxy-2-phenylpropanoic acid
OR1003703-01	2-Hydroxy-2-phenylpropanoic acid
PC1003559-01	3,3,3-Trifluoro-2-hydroxy-2-phenylpropanoic acid

Catalog	Name
DDA81496-01	2-Methoxy-3-phenylpropanoic acid
AL BO 1416-01	3-hydroxy-3-phenylpropanoic acid
AK HD 0029-01	3-amino-2-hydroxy-3-phenylpropanoic acid
TRC-H806380-100MG	(R)-3-Hydroxy-2-phenylpropanoic acid
GTR19168702-01	(S) -2-Hydroxy-3-phenylpropanoic acid
C7158-100	(S)-2-Hydroxy-3-phenylpropanoic acid
sc-306518	2-Amino-3-hydroxy-3-phenylpropanoic acid
RAA20215-01	(2S) -3-Hydroxy-2-phenylpropanoic acid
AR-A02943-01	(R) -3-hydroxy-2-phenylpropanoic acid
MFB29295-01	3,3-Difluoro-2-hydroxy-3-phenylpropanoic acid