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Home > Nitro Compounds > 38267-31-1
38267-31-1 | 8-Nitro-1,3,6-naphthalenetrisulfonic acid
CAS No: 38267-31-1 Catalog No: AG01EAGL MDL No:
Product Description
Catalog Number:
AG01EAGL
Chemical Name:
8-Nitro-1,3,6-naphthalenetrisulfonic acid
CAS Number:
38267-31-1
IUPAC Name:
8-nitronaphthalene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C10H7NO11S3/c12-11(13)8-3-6(23(14,15)16)1-5-2-7(24(17,18)19)4-9(10(5)8)25(20,21)22/h1-4H,(H,14,15,16)(H,17,18,19)(H,20,21,22)
InChI Key:
CWBVVPNADQZLQY-UHFFFAOYSA-N
Properties
Complexity:
840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.918g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
413.342g/mol
Monoisotopic Mass:
412.918g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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