7-Hydroxybicyclo[4.2.0]octa-1,3,5-triene - CAS 35447-99-5

Catalog:	BB022642
Product Name:	7-Hydroxybicyclo[4.2.0]octa-1,3,5-triene
CAS:	35447-99-5
Synonyms:	7-bicyclo[4.2.0]octa-1,3,5-trienol; bicyclo[4.2.0]octa-1,3,5-trien-7-ol

Technical Data

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Computed Properties

IUPAC Name:	bicyclo[4.2.0]octa-1,3,5-trien-7-ol
Description:	7-Hydroxybicyclo[4.2.0]octa-1,3,5-triene (CAS# 35447-99-5) is a useful research chemical.
Molecular Weight:	120.15
Molecular Formula:	C8H8O
Canonical SMILES:	C1C(C2=CC=CC=C21)O
InChI:	InChI=1S/C8H8O/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8-9H,5H2
InChI Key:	SKLKSDFOCXHYOO-UHFFFAOYSA-N
LogP:	1.27610

Publication Number	Title	Priority Date
KR-20210112907-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200306
KR-20210109968-A	Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof	20200228
US-2020354345-A1	Modulators of thr-beta and methods of use thereof	20190508
US-11091467-B2	Modulators of THR-Î² and methods of use thereof	20190508
US-2016096932-A1	Room temperature polymer crosslinking using 1-functionalized benzocyclobutene	20141001

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.057514874
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.057514874
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7