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20129-63-9 | Butyric acid, tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)
CAS No: 20129-63-9 Catalog No: AG002DBX MDL No:
Product Description
Catalog Number:
AG002DBX
Chemical Name:
Butyric acid, tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)
CAS Number:
20129-63-9
IUPAC Name:
[2,4,5-tri(butanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] butanoate
InChI:
InChI=1S/C22H28O10/c1-5-9-13(23)29-19-17(27)21(31-15(25)11-7-3)22(32-16(26)12-8-4)18(28)20(19)30-14(24)10-6-2/h5-12H2,1-4H3
InChI Key:
NHMHPUBQUINIEZ-UHFFFAOYSA-N
NSC Number:
91869
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.168g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.456g/mol
Monoisotopic Mass:
452.168g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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