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88699-81-4 | L-Cysteine, S-(3-hydroxy-3-phenylpropyl)-
CAS No: 88699-81-4 Catalog No: AG0047FG MDL No:
Product Description
Catalog Number:
AG0047FG
Chemical Name:
L-Cysteine, S-(3-hydroxy-3-phenylpropyl)-
CAS Number:
88699-81-4
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
IUPAC Name:
2-amino-3-(3-hydroxy-3-phenylpropyl)sulfanylpropanoic acid
InChI:
InChI=1S/C12H17NO3S/c13-10(12(15)16)8-17-7-6-11(14)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)
InChI Key:
CWARVPBASGTDQG-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CSCCC(c1ccccc1)O)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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