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3-chlorosulfonyl-propionic acid methyl ester

3-chlorosulfonyl-propionic acid methyl ester - CAS 15441-07-3

Catalog:	BB011009
Product Name:	3-chlorosulfonyl-propionic acid methyl ester
CAS:	15441-07-3
Synonyms:	3-chlorosulfonylpropanoic acid methyl ester; methyl 3-chlorosulfonylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-chlorosulfonylpropanoate
Description:	3-chlorosulfonyl-propionic acid methyl ester (CAS# 15441-07-3) is a useful research chemical.
Molecular Weight:	186.61
Molecular Formula:	C4H7ClO4S
Canonical SMILES:	COC(=O)CCS(=O)(=O)Cl
InChI:	InChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChI Key:	LWJZGJNMJBUUMC-UHFFFAOYSA-N
Boiling Point:	245.7 ℃ at 760 mmHg
Purity:	95 %
Density:	1.43 g/cm³
Appearance:	Liquid
LogP:	1.19890

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.9753576
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.9753576
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2