6-Isopropyl-1h-indole-2-carboxylic acid - CAS 383132-73-8

Catalog:	BB056320
Product Name:	6-Isopropyl-1h-indole-2-carboxylic acid
CAS:	383132-73-8
Synonyms:	6-isopropyl-1H-indole-2-carboxylic acid; 6-propan-2-yl-1H-indole-2-carboxylic Acid; 6-(propan-2-yl)-1H-indole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-propan-2-yl-1H-indole-2-carboxylic acid
Description:	6-Isopropyl-1h-indole-2-carboxylic acid
Molecular Weight:	203.24
Molecular Formula:	C12H13NO2
Canonical SMILES:	CC(C)C1=CC2=C(C=C1)C=C(N2)C(=O)O
InChI:	InChI=1S/C12H13NO2/c1-7(2)8-3-4-9-6-11(12(14)15)13-10(9)5-8/h3-7,13H,1-2H3,(H,14,15)
InChI Key:	DPDMFBGWQRIYBU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-2724774-A1	Pyrazolospiroketone acetyl-coa carboxylase inhibitors	20080528
CA-2724774-C	Pyrazolospiroketone acetyl-coa carboxylase inhibitors	20080528
EP-2297163-A1	Pyrazolospiroketone acetyl-c0a carboxylase inhibitors	20080528
EP-2297163-B1	Pyrazolospiroketone acetyl-CoA carboxylase inhibitors	20080528
ES-2545231-T3	Pyrazoloespirocetone acetyl-CoA carboxylase inhibitors	20080528
JP-2011521939-A	Pyrazolospiroketone acetyl CoA carboxylase inhibitor	20080528
JP-5435592-B2	Pyrazolospiroketone acetyl CoA carboxylase inhibitor	20080528
US-2011028390-A1	Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors	20080528
US-8318762-B2	Pyrazolospiroketone acetyl-CoA carboxylase inhibitors	20080528
WO-2009144554-A1	Pyrazolospiroketone acetyl-c0a carboxylase inhibitors	20080528

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.094628657
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4