Oxetane-3-methanol - CAS 6246-06-6

Catalog:	BB031600
Product Name:	Oxetane-3-methanol
CAS:	6246-06-6
Synonyms:	oxetan-3-ylmethanol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	oxetan-3-ylmethanol
Description:	Oxetane-3-methanol (CAS# 6246-06-6) is a useful research chemical.
Molecular Weight:	88.11
Molecular Formula:	C4H8O2
Canonical SMILES:	C1C(CO1)CO
InChI:	InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChI Key:	SWYHWLFHDVMLHO-UHFFFAOYSA-N
Boiling Point:	204.461 °C at 760 mmHg
Purity:	97.0 %
Density:	1.093 g/cm³
MDL:	MFCD17015894
LogP:	-0.37490

Publication Number	Title	Priority Date
CN-113336787-A	Thioether-oxygen heterocyclic butane silane coupling agent and preparation method thereof	20210621
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
US-2021284670-A1	Antiviral compounds	20200218
WO-2021167882-A1	Antiviral compounds	20200218
WO-2021168038-A1	Antiviral compounds	20200218

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GHS Hazard Statement:	H302 (100%): 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:	40.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.052429494
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	88.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6