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30264-40-5 | 1,3-Anthracenedisulfonic acid, 4-amino-9,10-dihydro-9,10-dioxo-
CAS No: 30264-40-5 Catalog No: AG002ZEZ MDL No:
Product Description
Catalog Number:
AG002ZEZ
Chemical Name:
1,3-Anthracenedisulfonic acid, 4-amino-9,10-dihydro-9,10-dioxo-
CAS Number:
30264-40-5
Molecular Formula:
C14H9NO8S2
Molecular Weight:
383.3532
IUPAC Name:
4-amino-9,10-dioxoanthracene-1,3-disulfonic acid
InChI:
InChI=1S/C14H9NO8S2/c15-12-9(25(21,22)23)5-8(24(18,19)20)10-11(12)14(17)7-4-2-1-3-6(7)13(10)16/h1-5H,15H2,(H,18,19,20)(H,21,22,23)
InChI Key:
CXEADGQDUJIMLL-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.977g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
383.345g/mol
Monoisotopic Mass:
382.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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