Tetrahydropyran-4-carboxylic Acid - CAS 5337-03-1

Catalog:	BB028178
Product Name:	Tetrahydropyran-4-carboxylic Acid
CAS:	5337-03-1
Synonyms:	4-oxanecarboxylic acid; oxane-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	oxane-4-carboxylic acid
Description:	Tetrahydropyran-4-carboxylic Acid (CAS# 5337-03-1) is a useful research chemical.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	C1COCCC1C(=O)O
InChI:	InChI=1S/C6H10O3/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)
InChI Key:	AVPKHOTUOHDTLW-UHFFFAOYSA-N
Boiling Point:	264.5 °C at 760 mmHg
Density:	1.185 g/cm³
MDL:	MFCD00031016
LogP:	0.49760

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GHS Hazard Statement:	H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1