AG002F6C

191330-98-0 | Propanoic acid, 2-bromo-3,3-dimethoxy-, methyl ester

AG002F6C

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CAS Number	191330-98-0
Catalog Number	AG002F6C(AGN-PC-0NEDEH)
Chemical Name	Propanoic acid, 2-bromo-3,3-dimethoxy-, methyl ester
IUPAC Name	methyl 2-bromo-3,3-dimethoxypropanoate
InChI	InChI=1S/C6H11BrO4/c1-9-5(8)4(7)6(10-2)11-3/h4,6H,1-3H3
InChI Key	UPMVUGZONKXPPW-UHFFFAOYSA-N
MDL Number	MFCD22392188
Molecular Formula	C6H11BrO4
Molecular Weight	227.0531
SMILES	O=C(OC)C(Br)C(OC)OC
Synonyms	methyl 2-bromo-3,3-dimethoxypropanoate, 191330-98-0, SCHEMBL8816319, AKOS026730219, NE16923, Propanoic acid, 2-bromo-3,3-dimethoxy-, methyl ester, CID11009683, Methyl 2-bromo-3,3-dimethoxy-propanoate,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.054g/mol
Monoisotopic Mass	225.984g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 1760

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