trans-Cyclobutane-1,2-dicarboxylic acid - CAS 1124-13-6

Name: trans-Cyclobutane-1,2-dicarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002962
Product Name:	trans-Cyclobutane-1,2-dicarboxylic acid
CAS:	1124-13-6
Synonyms:	(1R,2R)-cyclobutane-1,2-dicarboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1R,2R)-cyclobutane-1,2-dicarboxylic acid
Description:	trans-Cyclobutane-1,2-dicarboxylic acid (CAS# 1124-13-6) is a useful research chemical.
Molecular Weight:	144.13
Molecular Formula:	C6H8O4
Canonical SMILES:	C1CC(C1C(=O)O)C(=O)O
InChI:	InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1
InChI Key:	SUSAGCZZQKACKE-QWWZWVQMSA-N
Boiling Point:	397.8 °C at 760 mmHg
Melting Point:	125-131 °C
Purity:	95 %
Density:	1.407 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00068260
LogP:	0.18180

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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

Publication Number	Title	Priority Date
US-2021179570-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
WO-2020147802-A1	Macrocyclic spiroethers as mcl-1 inhibitors	20190118
EP-3781574-A1	Macrocyclic spiroethers as mcl-1 inhibitors	20190118
TW-202043238-A	Macrocyclic spiroethers as mcl-1 inhibitors	20190118
CN-112867722-A	MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors	20190118

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	144.04225873
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2