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130-84-7 | 2-Butenedioic acid, 2,3-bis(acetyloxy)-, 1,4-dimethyl ester, (2E)-
CAS No: 130-84-7 Catalog No: AG000TV3 MDL No:MFCD01726213
Product Description
Catalog Number:
AG000TV3
Chemical Name:
2-Butenedioic acid, 2,3-bis(acetyloxy)-, 1,4-dimethyl ester, (2E)-
CAS Number:
130-84-7
Molecular Formula:
C10H12O8
Molecular Weight:
260.1975
MDL Number:
MFCD01726213
IUPAC Name:
dimethyl (E)-2,3-diacetyloxybut-2-enedioate
InChI:
InChI=1S/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7+
InChI Key:
NKGXGEHGPYWBDK-BQYQJAHWSA-N
SMILES:
COC(=O)/C(=C(/C(=O)OC)\OC(=O)C)/OC(=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
260.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.198g/mol
Monoisotopic Mass:
260.053g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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