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74930-75-9 | 2-Butene-1,4-diol, 1,4-dibromo-, diacetate
CAS No: 74930-75-9 Catalog No: AG005G87 MDL No:
Product Description
Catalog Number:
AG005G87
Chemical Name:
2-Butene-1,4-diol, 1,4-dibromo-, diacetate
CAS Number:
74930-75-9
Molecular Formula:
C8H14Br2O6
Molecular Weight:
366.0012
IUPAC Name:
acetic acid;1,4-dibromobut-2-ene-1,4-diol
InChI:
InChI=1S/C4H6Br2O2.2C2H4O2/c5-3(7)1-2-4(6)8;2*1-2(3)4/h1-4,7-8H;2*1H3,(H,3,4)
InChI Key:
VIJSWEHYGXDITP-UHFFFAOYSA-N
SMILES:
OC(C=CC(Br)O)Br.CC(=O)O.CC(=O)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.914g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
366.002g/mol
Monoisotopic Mass:
363.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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