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116477-45-3 | L-Cysteine, N-acetyl-S-(1-cyanoethenyl)-
CAS No: 116477-45-3 Catalog No: AG000CLG MDL No:
Product Description
Catalog Number:
AG000CLG
Chemical Name:
L-Cysteine, N-acetyl-S-(1-cyanoethenyl)-
CAS Number:
116477-45-3
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
IUPAC Name:
(2R)-2-acetamido-3-(1-cyanoethenylsulfanyl)propanoic acid
InChI:
InChI=1S/C8H10N2O3S/c1-5(3-9)14-4-7(8(12)13)10-6(2)11/h7H,1,4H2,2H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChI Key:
YQBXUQMFPOYLNQ-ZETCQYMHSA-N
SMILES:
N#CC(=C)SC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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