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14717-97-6 | DL-4-Thiazolylalanine
CAS No: 14717-97-6 Catalog No: AG00AMDG MDL No:MFCD06656860
Product Description
Catalog Number:
AG00AMDG
Chemical Name:
DL-4-Thiazolylalanine
CAS Number:
14717-97-6
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD06656860
IUPAC Name:
2-amino-3-(1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)
InChI Key:
WBZIGVCQRXJYQD-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)Cc1cscn1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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