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85916-26-3

85916-26-3 | D-Cysteine, S-phenyl-

CAS No: 85916-26-3 Catalog No: AG004WLW MDL No:MFCD12755996

Product Description

Catalog Number:
AG004WLW
Chemical Name:
D-Cysteine, S-phenyl-
CAS Number:
85916-26-3
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD12755996
IUPAC Name:
tert-butyl (3S)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-7-6-10(9-14)8-13(4)5;/h10H,6-9H2,1-5H3;1H/t10-;/m0./s1
InChI Key:
VMAMYHJAFNEBOM-PPHPATTJSA-N
SMILES:
N[C@@H](C(=O)O)CSc1ccccc1

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
264.16g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.794g/mol
Monoisotopic Mass:
264.16g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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