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29237-82-9 | Propanedioic acid, 2-bromo-2-hexyl-, 1,3-diethyl ester
CAS No: 29237-82-9 Catalog No: AG002XSN MDL No:
Product Description
Catalog Number:
AG002XSN
Chemical Name:
Propanedioic acid, 2-bromo-2-hexyl-, 1,3-diethyl ester
CAS Number:
29237-82-9
Molecular Formula:
C13H23BrO4
Molecular Weight:
323.2233
IUPAC Name:
diethyl 2-(6-bromohexyl)propanedioate
InChI:
InChI=1S/C13H23BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10-14/h11H,3-10H2,1-2H3
InChI Key:
UEOSPPIPGYKPTO-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCC)(C(=O)OCC)Br
NSC Number:
54804
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.227g/mol
Monoisotopic Mass:
322.078g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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