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139339-61-0 | L-Cysteine, S-(2-hydroxy-3-buten-1-yl)-
CAS No: 139339-61-0 Catalog No: AG001ASF MDL No:
Product Description
Catalog Number:
AG001ASF
Chemical Name:
L-Cysteine, S-(2-hydroxy-3-buten-1-yl)-
CAS Number:
139339-61-0
Molecular Formula:
C7H13NO3S
Molecular Weight:
191.2480
IUPAC Name:
2-amino-3-(2-hydroxybut-3-enylsulfanyl)propanoic acid
InChI:
InChI=1S/C7H13NO3S/c1-2-5(9)3-12-4-6(8)7(10)11/h2,5-6,9H,1,3-4,8H2,(H,10,11)
InChI Key:
UNKWGEXKIQJUNY-UHFFFAOYSA-N
SMILES:
C=CC(CSC[C@@H](C(=O)O)N)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.062g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.245g/mol
Monoisotopic Mass:
191.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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