3-Methylcyclobutanecarboxylic Acid - CAS 57252-83-2

Catalog:	BB029616
Product Name:	3-Methylcyclobutanecarboxylic Acid
CAS:	57252-83-2
Synonyms:	3-methyl-1-cyclobutanecarboxylic acid; 3-methylcyclobutane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methylcyclobutane-1-carboxylic acid
Description:	3-Methylcyclobutanecarboxylic Acid (CAS# 57252-83-2) is a reactant used in the preparation of alternating copolymers via. ring-opening metathesis polymerization (ROMP) of methylcyclobutene and dimethylcyclobutene.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC1CC(C1)C(=O)O
InChI:	InChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChI Key:	ZLXHOVJKNATDMT-UHFFFAOYSA-N
Boiling Point:	194 °C at 760 mmHg
Density:	1.105 g/cm³
LogP:	1.11710

Publication Number	Title	Priority Date
WO-2021022078-A1	Dual atm and dna-pk inhibitors for use in anti-tumor therapy	20190730
CN-112300159-A	Dual ATM and DNA-PK inhibitors for use in antitumor therapy	20190730
US-2020354345-A1	Modulators of thr-beta and methods of use thereof	20190508
WO-2020227549-A1	MODULATORS OF THR-Î² AND METHODS OF USE THEREOF	20190508
US-11091467-B2	Modulators of THR-Î² and methods of use thereof	20190508

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Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1