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188944-76-5 | Butanedioic acid, 2-bromo-3-hydroxy-, 1,4-diethyl ester
CAS No: 188944-76-5 Catalog No: AG002HK8 MDL No:
Product Description
Catalog Number:
AG002HK8
Chemical Name:
Butanedioic acid, 2-bromo-3-hydroxy-, 1,4-diethyl ester
CAS Number:
188944-76-5
Molecular Formula:
C8H13BrO5
Molecular Weight:
269.0898
IUPAC Name:
diethyl 2-bromo-3-hydroxybutanedioate
InChI:
InChI=1S/C8H13BrO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,10H,3-4H2,1-2H3
InChI Key:
XVMUUAOSLJEHMN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(=O)OCC)O)Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.091g/mol
Monoisotopic Mass:
267.995g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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