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870150-79-1 | L-Cysteine, S-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-
CAS No: 870150-79-1 Catalog No: AG004KAA MDL No:
Product Description
Catalog Number:
AG004KAA
Chemical Name:
L-Cysteine, S-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-
CAS Number:
870150-79-1
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
IUPAC Name:
(2R)-2-amino-3-[3-(4-hydroxyphenyl)prop-2-enoylsulfanyl]propanoic acid
InChI:
InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/t10-/m0/s1
InChI Key:
RIXZOZKLGOTDHO-JTQLQIEISA-N
SMILES:
O=C(/C=C/c1ccc(cc1)O)SC[C@@H](C(=O)O)N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.2
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