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488-11-9 | Mucobromic Acid
CAS No: 488-11-9 Catalog No: AG0035A1 MDL No:MFCD00063745
Product Description
Catalog Number:
AG0035A1
Chemical Name:
Mucobromic Acid
CAS Number:
488-11-9
Molecular Formula:
C4H2Br2O3
Molecular Weight:
257.8649
MDL Number:
MFCD00063745
IUPAC Name:
(Z)-2,3-dibromo-4-oxobut-2-enoic acid
InChI:
InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
InChI Key:
NCNYEGJDGNOYJX-IHWYPQMZSA-N
SMILES:
O=C/C(=C(\C(=O)O)/Br)/Br
EC Number:
207-670-5
NSC Number:
12426
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
257.835g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.865g/mol
Monoisotopic Mass:
255.837g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Mutagenic analysis of six disinfection by-products in the Tk gene of mouse lymphoma cells. | Journal of hazardous materials 20110615 |
| Reactivity of mucohalic acids in water. | Water research 20110101 |
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