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94411-91-3 | 1,2,3,4-tetrahydroquinoline-7-sulfonic acid
CAS No: 94411-91-3 Catalog No: AG01A1UX MDL No:MFCD09839673
Product Description
Catalog Number:
AG01A1UX
Chemical Name:
1,2,3,4-tetrahydroquinoline-7-sulfonic acid
CAS Number:
94411-91-3
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD09839673
IUPAC Name:
1,2,3,4-tetrahydroquinoline-7-sulfonic acid
InChI:
InChI=1S/C9H11NO3S/c11-14(12,13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2,(H,11,12,13)
InChI Key:
VWQWATUHZIFCIR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)NCCC2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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