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14922-94-2 | Tyrosine, N-acetyl-3-(1H-tetrazol-5-ylazo)- (9CI)
CAS No: 14922-94-2 Catalog No: AG001LHK MDL No:
Product Description
Catalog Number:
AG001LHK
Chemical Name:
Tyrosine, N-acetyl-3-(1H-tetrazol-5-ylazo)- (9CI)
CAS Number:
14922-94-2
Molecular Formula:
C12H13N7O4
Molecular Weight:
319.2761
IUPAC Name:
(2S)-2-acetamido-3-[4-hydroxy-3-(2H-tetrazol-5-yldiazenyl)phenyl]propanoic acid
InChI:
InChI=1S/C12H13N7O4/c1-6(20)13-9(11(22)23)5-7-2-3-10(21)8(4-7)14-15-12-16-18-19-17-12/h2-4,9,21H,5H2,1H3,(H,13,20)(H,22,23)(H,16,17,18,19)/t9-/m0/s1
InChI Key:
SXCSORDUOXLADU-VIFPVBQESA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1ccc(c(c1)N=Nc1nnn[nH]1)O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.281g/mol
Monoisotopic Mass:
319.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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