2-hydroxy-4-phenylmethoxybenzoic acid

CAT: 1731-AL BE 1511-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BE 1511-01Size:1 mg

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CAS Number

5448-45-3

MDL Number

MFCD02114450

Purity

0.95

Smiles

O=C (O) c1ccc (OCc2ccccc2) cc1O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

4-(Benzyloxy)-2-hydroxybenzoic acid

CAS Number	5448-45-3
PubChem CID	226877
IUPAC Name	2-hydroxy-4-phenylmethoxybenzoic acid
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	3.5
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)

InChIKey

JHMFYEFDCDOWFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5448-45-3

CID: 226877

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
AL BE 0478-01	3-chloro-4-phenylmethoxybenzoic acid
AL BE 0569-01	4-hydroxy-2-methoxybenzoic acid
AL BO 0530-01	3-hydroxy-2,2,4-trimethylpentanoic acid
AL BE 0907-01	2-chloro-3-hydroxy-4-methoxybenzoic acid
BW GA 0152-01	2-hydroxy-5- (1-hydroxy-3,4-dioxonaphthalen-2-yl) benzoic acid
GT HW 2187-01	2-hydroxy-2-methylbutanedioic acid
DK HW 0027-01	2-[ (4-hydroxy-3-nitrophenyl) methyl]propanedioic acid
AL BE 0917-01	2,6-dichloro-3-hydroxy-4-methoxybenzoic acid
BG FC 1744-01	(4-hydroxy-1H-pyrazine-2-carbonyl) iminocarbamodithioic acid
BW GA 0154-01	4- (1-hydroxy-3,4-dioxonaphthalen-2-yl) benzoic acid

Catalog	Name
JH355316	4-methoxy-3-phenylmethoxybenzoic acid
OR79419-01	2-amino-5-methoxy-4-phenylmethoxybenzoic acid
OR1002060-01	3,5-Dichloro-4-phenylmethoxybenzoic acid
QCA30298-01	2-Hydroxy-4,4-dimethylpentanoic acid
QDA11134-01	4-Hydroxy-2-methoxybenzoic acid
FH52855-01	2-Hydroxy-4-aminobutanoic acid
FH10272-01	4-Hydroxy-2-thiophenecarboxylic acid
FGA50385-01	4-Hydroxy-2-phenylbenzoic acid
ZBA54014-01	2-Hydroxy-4-methanesulfinylbutanoic acid
EAA26393-01	2-Hydroxy-4-phenylbutanoic acid