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141778-64-5 | L-Glutamic acid, N-[[(3-hydroxyphenyl)amino]thioxomethyl]-
CAS No: 141778-64-5 Catalog No: AG001H10 MDL No:
Product Description
Catalog Number:
AG001H10
Chemical Name:
L-Glutamic acid, N-[[(3-hydroxyphenyl)amino]thioxomethyl]-
CAS Number:
141778-64-5
Molecular Formula:
C12H14N2O5S
Molecular Weight:
298.3150
IUPAC Name:
2-[(3-hydroxyphenyl)carbamothioylamino]pentanedioic acid
InChI:
InChI=1S/C12H14N2O5S/c15-8-3-1-2-7(6-8)13-12(20)14-9(11(18)19)4-5-10(16)17/h1-3,6,9,15H,4-5H2,(H,16,17)(H,18,19)(H2,13,14,20)
InChI Key:
KCOJVZCQNJYEMV-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=S)Nc1cccc(c1)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
298.313g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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