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1-[4-(tert-Butyl)phenyl]cyclopropanecarboxylic Acid

1-[4-(tert-Butyl)phenyl]cyclopropanecarboxylic Acid - CAS 211315-05-8

Catalog:	BB016631
Product Name:	1-[4-(tert-Butyl)phenyl]cyclopropanecarboxylic Acid
CAS:	211315-05-8
Synonyms:	1-(4-tert-butylphenyl)-1-cyclopropanecarboxylic acid; 1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid
Description:	1-[4-(tert-Butyl)phenyl]cyclopropanecarboxylic Acid (CAS# 211315-05-8) is a useful research chemical.
Molecular Weight:	218.29
Molecular Formula:	C14H18O2
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)C2(CC2)C(=O)O
InChI:	InChI=1S/C14H18O2/c1-13(2,3)10-4-6-11(7-5-10)14(8-9-14)12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key:	AYUZKGVLRKUOAP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2018194799-A1	Betuin derivatives for preventing or treating hiv infections	20150728
US-2004054009-A1	(BIS)sulfonamide derivatives	20010523
CA-2338916-A1	Amide, carbamate, and urea derivatives	19980731
EP-0976744-A1	Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity	19980731
JP-2002521442-A	Amide, carbamate and urea derivatives	19980731

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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:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.130679813
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.130679813
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4