3-(oxan-4-yl)benzoic acid, 95%

Name: 3-(oxan-4-yl)benzoic acid
Brand: Chempure

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CAS Number

1000016-93-2

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About this item

IUPAC name	3-(oxan-4-yl)benzoic acid
inchi	InChI=1S/C12H14O3/c13-12(14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H,13,14)
inchi key	RIOUZDXMFBINOG-UHFFFAOYSA-N
molecular formula	C12H14O3
synonyms	3-(tetrahydro-2H-pyran-4-yl)benzoic acid 3-(oxan-4-yl)benzoic acid 1000016-93-2 SCHEMBL3099917 RIOUZDXMFBINOG-UHFFFAOYSA-N

Computed Properties

Molecular Weight:	206.24 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	206.094294304 g/mol
Monoisotopic Mass:	206.094294304 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	221
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AW9473

3-(oxan-4-yl)benzoic acid, 95%

Product No: AW9473

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Product No: AW9473

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?