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20688-70-4 | 2-Butenedioic acid, 2,3-dihydroxy-, hydrate (1:2), (2E)-
CAS No: 20688-70-4 Catalog No: AG002IQZ MDL No:MFCD00149287
Product Description
Catalog Number:
AG002IQZ
Chemical Name:
2-Butenedioic acid, 2,3-dihydroxy-, hydrate (1:2), (2E)-
CAS Number:
20688-70-4
Molecular Formula:
C4H8O8
Molecular Weight:
184.1015
MDL Number:
MFCD00149287
IUPAC Name:
(E)-2,3-dihydroxybut-2-enedioic acid;dihydrate
InChI:
InChI=1S/C4H4O6.2H2O/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);2*1H2/b2-1+;;
InChI Key:
LDRMCGGUXOJSDA-SEPHDYHBSA-N
SMILES:
O/C(=C(\C(=O)O)/O)/C(=O)O.O.O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
184.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
184.1g/mol
Monoisotopic Mass:
184.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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