Indane-5-boronic Acid - CAS 196861-31-1

Catalog:	BB015213
Product Name:	Indane-5-boronic Acid
CAS:	196861-31-1
Synonyms:	2,3-dihydro-1H-inden-5-ylboronic acid; 2,3-dihydro-1H-inden-5-ylboronic acid

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Computed Properties

IUPAC Name:	2,3-dihydro-1H-inden-5-ylboronic acid
Description:	Indane-5-boronic Acid (CAS# 196861-31-1) is a useful research chemical.
Molecular Weight:	161.99
Molecular Formula:	C9H11O2B
Canonical SMILES:	B(C1=CC2=C(CCC2)C=C1)(O)O
InChI:	InChI=1S/C9H11BO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6,11-12H,1-3H2
InChI Key:	QWMCFBNRPCHLHT-UHFFFAOYSA-N
LogP:	-0.14490

Publication Number	Title	Priority Date
US-2019202851-A1	Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices	20160830
US-10889604-B2	Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices	20160830
AU-2015220427-B2	Compounds for use as GPR120 agonists	20140219
CA-2935897-A1	Compounds for use as gpr120 agonists	20140219
CA-2935897-C	Compounds for use as gpr120 agonists	20140219

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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:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.0852098
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.0852098
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0