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174619-42-2 | Propanedioic acid, 2-(2-bromoethyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS No: 174619-42-2 Catalog No: AG001ZTI MDL No:
Product Description
Catalog Number:
AG001ZTI
Chemical Name:
Propanedioic acid, 2-(2-bromoethyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS Number:
174619-42-2
Molecular Formula:
C12H19BrO4
Molecular Weight:
307.1809
IUPAC Name:
diethyl 2-(2-bromoethyl)-2-prop-1-enylpropanedioate
InChI:
InChI=1S/C12H19BrO4/c1-4-7-12(8-9-13,10(14)16-5-2)11(15)17-6-3/h4,7H,5-6,8-9H2,1-3H3
InChI Key:
SJIWJGCGAGZZAC-UHFFFAOYSA-N
SMILES:
BrCCC(C(=O)OCC)(C(=O)OCC)CC=C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.184g/mol
Monoisotopic Mass:
306.047g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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