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13830-91-6 | Propanedioic acid, 2-(2-bromo-1-methylethylidene)-, 1,3-diethyl ester
CAS No: 13830-91-6 Catalog No: AG0018H8 MDL No:
Product Description
Catalog Number:
AG0018H8
Chemical Name:
Propanedioic acid, 2-(2-bromo-1-methylethylidene)-, 1,3-diethyl ester
CAS Number:
13830-91-6
Molecular Formula:
C10H15BrO4
Molecular Weight:
279.1277
IUPAC Name:
diethyl 2-(1-bromopropan-2-ylidene)propanedioate
InChI:
InChI=1S/C10H15BrO4/c1-4-14-9(12)8(7(3)6-11)10(13)15-5-2/h4-6H2,1-3H3
InChI Key:
ZWHRRZZDWJIKCY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(CBr)C)C(=O)OCC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.13g/mol
Monoisotopic Mass:
278.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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