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20697-49-8 | 2-Butenedioic acid, 2,3-diiodo-, (2E)-
CAS No: 20697-49-8 Catalog No: AG002IRJ MDL No:
Product Description
Catalog Number:
AG002IRJ
Chemical Name:
2-Butenedioic acid, 2,3-diiodo-, (2E)-
CAS Number:
20697-49-8
Molecular Formula:
C4H2I2O4
Molecular Weight:
367.8652
IUPAC Name:
(E)-2,3-diiodobut-2-enedioic acid
InChI:
InChI=1S/C4H2I2O4/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10)/b2-1+
InChI Key:
BJGNTGGAJYXRAR-OWOJBTEDSA-N
SMILES:
I/C(=C(\C(=O)O)/I)/C(=O)O
NSC Number:
196162
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
367.804g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.865g/mol
Monoisotopic Mass:
367.804g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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