4-Chromanol - CAS 1481-93-2

Catalog:	BB010280
Product Name:	4-Chromanol
CAS:	1481-93-2
Synonyms:	3,4-dihydro-2H-1-benzopyran-4-ol; 3,4-dihydro-2H-chromen-4-ol

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Computed Properties

IUPAC Name:	3,4-dihydro-2H-chromen-4-ol
Description:	4-Chromanol (CAS# 1481-93-2) is a useful research chemical.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	C1COC2=CC=CC=C2C1O
InChI:	InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2
InChI Key:	MGSHXMOLUWTMGP-UHFFFAOYSA-N
Boiling Point:	80 °C (5 mmHg), 266.6 °C at 760 mmHg
Density:	1.208 g/cm³
Appearance:	Solid
MDL:	MFCD00006849
LogP:	1.50250

Publication Number	Title	Priority Date
US-2021221802-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
CN-110791483-A	Short-chain reductase and preparation method and application thereof	20191205
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
TW-202106671-A	Modulators of the integrated stress pathway	20190430
WO-2020215094-A1	Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof	20190418

PMID	Publication Date	Title	Journal
16763696	20060621	Synthesis and immunosuppressive activity of L-rhamnopyranosyl flavonoids	Organic & biomolecular chemistry
15303872	20040818	Unexpectedly small ortho-oxygen substituent effects on stabilities of benzylic carbocations	Journal of the American Chemical Society

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2