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29554-48-1 | Propanedioic acid, 2-(3-bromopropyl)-, 1,3-dimethyl ester
CAS No: 29554-48-1 Catalog No: AG002YQF MDL No:
Product Description
Catalog Number:
AG002YQF
Chemical Name:
Propanedioic acid, 2-(3-bromopropyl)-, 1,3-dimethyl ester
CAS Number:
29554-48-1
Molecular Formula:
C8H13BrO4
Molecular Weight:
253.0904
IUPAC Name:
dimethyl 2-(3-bromopropyl)propanedioate
InChI:
InChI=1S/C8H13BrO4/c1-12-7(10)6(4-3-5-9)8(11)13-2/h6H,3-5H2,1-2H3
InChI Key:
ZCOYNMAUTASHKT-UHFFFAOYSA-N
SMILES:
BrCCCC(C(=O)OC)C(=O)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.092g/mol
Monoisotopic Mass:
252g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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