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82120-46-5 | 2,4-Hexadienedioic acid, 2,3-dibromo-, 6-methyl ester, (Z,E)-
CAS No: 82120-46-5 Catalog No: AG005AA9 MDL No:
Product Description
Catalog Number:
AG005AA9
Chemical Name:
2,4-Hexadienedioic acid, 2,3-dibromo-, 6-methyl ester, (Z,E)-
CAS Number:
82120-46-5
Molecular Formula:
C7H5Br2O4-
Molecular Weight:
312.9202
IUPAC Name:
2,3-dibromo-6-methoxy-6-oxohexa-2,4-dienoate
InChI:
InChI=1S/C7H6Br2O4/c1-13-5(10)3-2-4(8)6(9)7(11)12/h2-3H,1H3,(H,11,12)/p-1
InChI Key:
SXRNSJBWHMHDIF-UHFFFAOYSA-M
SMILES:
COC(=O)/C=C/C(=C(\C(=O)[O-])/Br)/Br
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.853g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.921g/mol
Monoisotopic Mass:
310.855g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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