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116120-36-6 | 3-Thiophenecarboxylic acid, 2-[(2-amino-3-methoxybenzoyl)amino]-5-methyl-, sodium salt (1:1)
CAS No: 116120-36-6 Catalog No: AG000BP0 MDL No:
Product Description
Catalog Number:
AG000BP0
Chemical Name:
3-Thiophenecarboxylic acid, 2-[(2-amino-3-methoxybenzoyl)amino]-5-methyl-, sodium salt (1:1)
CAS Number:
116120-36-6
Molecular Formula:
C14H13N2NaO4S
Molecular Weight:
328.3188
IUPAC Name:
sodium;2-[(2-amino-3-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylate
InChI:
InChI=1S/C14H14N2O4S.Na/c1-7-6-9(14(18)19)13(21-7)16-12(17)8-4-3-5-10(20-2)11(8)15;/h3-6H,15H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1
InChI Key:
UMQPHVVVUAWLTM-UHFFFAOYSA-M
SMILES:
COc1cccc(c1N)C(=O)Nc1sc(cc1C(=O)[O-])C.[Na+]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.318g/mol
Monoisotopic Mass:
328.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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