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2-Benzyloxybenzoic acid

CAT: 0804-HY-W001026-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W001026-01Size:10 g
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Description
2-Benzyloxybenzoic acid is a Benzyloxy-benzene derivative[1].
CAS Number
14389-86-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335, H410
Target
Drug Derivative
Related Pathways
Others
Field of Research
Others
Purity
99.97
Smiles
O=C(O)C=1C=CC=CC1OCC=2C=CC=CC2
Molecular Formula
C14H12O3
Molecular Weight
228.25
Precautions
H302, H315, H319, H335, H410
References & Citations
[1]Pérez J, et al. MS10. P04. Acta Cryst, 2011, 67: C271-C272.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2-Benzyloxybenzoic acid

2-(benzyloxy)benzoic acid has been reported in Lonicera japonica with data available.

CAS Number14389-86-7
PubChem CID1810581
IUPAC Name2-phenylmethoxybenzoic acid
Molecular FormulaC14H12O3
Molecular Weight228.24
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
GMOYUTKNPLBTMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyloxybenzoic acid
CAS: 14389-86-7
CID: 1810581
Formula: C14H12O3
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass228.078644241
Monoisotopic Mass228.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
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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