Methyl 3-butenoate - CAS 3724-55-8

Catalog:	BB023243
Product Name:	Methyl 3-butenoate
CAS:	3724-55-8
Synonyms:	methyl but-3-enoate

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Computed Properties

IUPAC Name:	methyl but-3-enoate
Description:	Methyl 3-butenoate (CAS# 3724-55-8 ) is a useful research chemical.
Molecular Weight:	100.12
Molecular Formula:	C5H8O2
Canonical SMILES:	COC(=O)CC=C
InChI:	InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
InChI Key:	GITITJADGZYSRL-UHFFFAOYSA-N
Boiling Point:	90 °C at 760 mmHg
Purity:	95 %
Density:	0.939 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD00082587
LogP:	0.73550

Publication Number	Title	Priority Date
WO-2021177383-A1	Catalyst, and method for producing optically active amide compound	20200304
WO-2021031071-A1	Amide derivative and use thereof in medicine	20190819
CN-112341359-A	Fluorenoxime ester compound, preparation method and application thereof	20190807
WO-2021023144-A1	Fluorenoxime ester compound, preparation method therefor, and application thereof	20190807
CN-110055622-A	A kind of preparation method of hollow structure porous carbon nanofiber	20190404

PMID	Publication Date	Title	Journal
12182670	20020823	Synthesis of the pro-gly dipeptide alkene isostere using olefin cross-metathesis	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	76.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.052429494
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	100.052429494
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9