Dimethyl Dipropargylmalonate - CAS 63104-44-9

Catalog:	BB032000
Product Name:	Dimethyl Dipropargylmalonate
CAS:	63104-44-9
Synonyms:	2,2-bis(prop-2-ynyl)propanedioic acid dimethyl ester; dimethyl 2,2-bis(prop-2-ynyl)propanedioate

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Computed Properties

IUPAC Name:	dimethyl 2,2-bis(prop-2-ynyl)propanedioate
Description:	Dimethyl Dipropargylmalonate (CAS# 63104-44-9) is a useful research chemical compound.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	COC(=O)C(CC#C)(CC#C)C(=O)OC
InChI:	InChI=1S/C11H12O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h1-2H,7-8H2,3-4H3
InChI Key:	AKISDSWMEPTCRL-UHFFFAOYSA-N
LogP:	0.36540

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021055756-A1	Spirocyclic androgen receptor protein degraders	20190919
WO-2021041664-A1	Cereblon e3 ligase inhibitors	20190827
WO-2018014028-A1	Compounds and devices containing such compounds	20160715
WO-2016180297-A1	Metal bridge site fused ring compound, and intermediate, preparation method and use thereof	20150513

PMID	Publication Date	Title	Journal
16228037	20051107	Cyclopolymerization of dimethyl dipropargylmalonate in supercritical carbon dioxide to give a highly regular polyene containing predominantly five-membered rings	Chemical communications (Cambridge, England)
11975528	20020503	Cyclization/hydrosilylation of functionalized 1,6-diynes catalyzed by cationic platinum complexes containing bidentate nitrogen ligands	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.07355886
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.07355886
Rotatable Bond Count:	6
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1