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1216924-54-7 | Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro-, ethanedioate (1:1)
CAS No: 1216924-54-7 Catalog No: AG0015KF MDL No:MFCD07357601
Product Description
Catalog Number:
AG0015KF
Chemical Name:
Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro-, ethanedioate (1:1)
CAS Number:
1216924-54-7
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD07357601
IUPAC Name:
oxalic acid;4,5,6,7-tetrahydro-1-benzothiophen-2-amine
InChI:
InChI=1S/C8H11NS.C2H2O4/c9-8-5-6-3-1-2-4-7(6)10-8;3-1(4)2(5)6/h5H,1-4,9H2;(H,3,4)(H,5,6)
InChI Key:
NWUMOUXCUSYZQJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Nc1cc2c(s1)CCCC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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