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27655-40-9 | 5-Isoquinolinesulfonic Acid
CAS No: 27655-40-9 Catalog No: AG002UCB MDL No:MFCD00134089
Product Description
Catalog Number:
AG002UCB
Chemical Name:
5-Isoquinolinesulfonic Acid
CAS Number:
27655-40-9
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD00134089
IUPAC Name:
isoquinoline-5-sulfonic acid
InChI:
InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)
InChI Key:
YFMJTLUPSMCTOQ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1ccnc2
NSC Number:
49176
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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