1-Phenylcyclobutanecarboxylic Acid - CAS 37828-19-6

Catalog:	BB023436
Product Name:	1-Phenylcyclobutanecarboxylic Acid
CAS:	37828-19-6
Synonyms:	1-phenyl-1-cyclobutanecarboxylic acid; 1-phenylcyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-phenylcyclobutane-1-carboxylic acid
Description:	1-Phenylcyclobutanecarboxylic Acid (CAS# 37828-19-6) is a useful research chemical.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	C1CC(C1)(C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C11H12O2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChI Key:	JHZRNLRTNIDFKG-UHFFFAOYSA-N
Boiling Point:	323.9 °C at 760 mmHg
Density:	1.208 g/cm³
MDL:	MFCD00019262
LogP:	2.19290

Publication Number	Title	Priority Date
CN-113061098-A	Amide compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
CN-111499644-A	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111499644-B	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
US-2020109141-A1	Amino acid compounds and methods of use	20181008
WO-2020076862-A1	Amino acid compounds and methods of use	20181008

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Related Functional Groups

Carbonyl Compounds

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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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.083729621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3