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67498-37-7 | Propanedioic acid, (2-bromo-2-methylbutylidene)-, dimethyl ester
CAS No: 67498-37-7 Catalog No: AG006G89 MDL No:
Product Description
Catalog Number:
AG006G89
Chemical Name:
Propanedioic acid, (2-bromo-2-methylbutylidene)-, dimethyl ester
CAS Number:
67498-37-7
Molecular Formula:
C10H15BrO4
Molecular Weight:
279.1277
IUPAC Name:
dimethyl 2-(2-bromo-2-methylbutylidene)propanedioate
InChI:
InChI=1S/C10H15BrO4/c1-5-10(2,11)6-7(8(12)14-3)9(13)15-4/h6H,5H2,1-4H3
InChI Key:
BSTGLNSBSOHIIE-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC(CC)(Br)C)C(=O)OC
Properties
Complexity:
267
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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