1H-Indene-2-carboxylic Acid - CAS 41712-14-5

Catalog:	BB024937
Product Name:	1H-Indene-2-carboxylic Acid
CAS:	41712-14-5
Synonyms:	1H-indene-2-carboxylic acid; 1H-indene-2-carboxylic acid

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Computed Properties

IUPAC Name:	1H-indene-2-carboxylic acid
Description:	1H-Indene-2-carboxylic Acid (CAS# 41712-14-5) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C10H8O2
Canonical SMILES:	C1C2=CC=CC=C2C=C1C(=O)O
InChI:	InChI=1S/C10H8O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2,(H,11,12)
InChI Key:	BINGGEWUXWUXMJ-UHFFFAOYSA-N
LogP:	1.71070

Publication Number	Title	Priority Date
WO-2020239980-A1	Arthropod controlling composition	20190531
US-2020192222-A1	Resist composition and patterning process	20181218
WO-2020064174-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064175-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2019193541-A1	Bicyclic aromatic ring derivatives of formula (i) as atf4 inhibitors	20180406

PMID	Publication Date	Title	Journal
12620354	20030201	Kinetic analysis of the inhibition of phenylalanine ammonia-lyase by 2-aminoindan-2-phosphonic acid and other phenylalanine analogues	Phytochemistry

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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:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.052429494
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2