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5-(Benzyloxy)-2-Hydroxybenzoic Acid

CAT: 0572-TRC-B594193-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B594193-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16094-44-3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(=O)c1cc(OCc2ccccc2)ccc1O
Molecular Formula
C14H12O4
Molecular Weight
244.24
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-(Benzyloxy)-2-hydroxybenzoic acid
CAS Number16094-44-3
PubChem CID11817392
IUPAC Name2-hydroxy-5-phenylmethoxybenzoic acid
Molecular FormulaC14H12O4
Molecular Weight244.24
XLogP4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H12O4/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
InChIKey
PNERJPORNFOLIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Benzyloxy)-2-hydroxybenzoic acid
CAS: 16094-44-3
CID: 11817392
Formula: C14H12O4
MW: 244.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.24
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass244.07355886
Monoisotopic Mass244.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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OR1052705-014- (Benzyloxy) -2-hydroxybenzoic acid
OR1069615-014- (Benzyloxy) -3-hydroxybenzoic acid
OR1058823-012- (4- (Benzyloxy) styryl) -6-hydroxybenzoic acid
429928-014-[2- (Benzyloxy) -4-fluorophenyl]-3-hydroxybenzoic acid
BAA85523-015-Cyclohexyl-2-hydroxybenzoic acid
AAA05127-015-Ethyl-2-hydroxybenzoic acid
230165-012-Chloro-5-hydroxybenzoic acid
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