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102419-73-8 | 2H-Thiopyrano[4,3,2-cd]indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, sodium salt (1:1), (2R,3S)-
CAS No: 102419-73-8 Catalog No: AG0007E9 MDL No:
Product Description
Catalog Number:
AG0007E9
Chemical Name:
2H-Thiopyrano[4,3,2-cd]indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, sodium salt (1:1), (2R,3S)-
CAS Number:
102419-73-8
Molecular Formula:
C12H10NNaO2S
Molecular Weight:
255.2681
IUPAC Name:
sodium;sulfanyl 5-methyl-7-oxa-2-azanidatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylate
InChI:
InChI=1S/C12H10NO3S.Na/c1-6-7-5-13-8-3-2-4-9(10(7)8)15-11(6)12(14)16-17;/h2-6,11,17H,1H3;/q-1;+1
InChI Key:
UBHAHHJGTOJRIY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)[C@@H]1Sc2cccc3c2c([C@@H]1C)c[nH]3.[Na+]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.266g/mol
Monoisotopic Mass:
271.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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