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191330-98-0

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

CAS No: 191330-98-0 Catalog No: AG002F6C MDL No:MFCD22392188

Product Description

Catalog Number:
AG002F6C
Chemical Name:
Propanoic acid, 2-bromo-3,3-dimethoxy-, methyl ester
CAS Number:
191330-98-0
Molecular Formula:
C6H11BrO4
Molecular Weight:
227.0531
MDL Number:
MFCD22392188
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
SMILES:
COC(=O)C(C(OC)OC)Br

Properties

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  

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