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87802-99-1 | Propanedioic acid, (6-bromo-1-ethenylhexyl)-, dimethyl ester
CAS No: 87802-99-1 Catalog No: AG004F7M MDL No:
Product Description
Catalog Number:
AG004F7M
Chemical Name:
Propanedioic acid, (6-bromo-1-ethenylhexyl)-, dimethyl ester
CAS Number:
87802-99-1
Molecular Formula:
C13H21BrO4
Molecular Weight:
321.2074
IUPAC Name:
dimethyl 2-(8-bromooct-1-en-3-yl)propanedioate
InChI:
InChI=1S/C13H21BrO4/c1-4-10(8-6-5-7-9-14)11(12(15)17-2)13(16)18-3/h4,10-11H,1,5-9H2,2-3H3
InChI Key:
YHPFUZAQHUWHKN-UHFFFAOYSA-N
SMILES:
BrCCCCCC(C(C(=O)OC)C(=O)OC)C=C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.211g/mol
Monoisotopic Mass:
320.062g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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