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145452-04-6 | L-Cysteine, N-acetyl-, 2-propen-1-yl ester
CAS No: 145452-04-6 Catalog No: AG001D1Z MDL No:
Product Description
Catalog Number:
AG001D1Z
Chemical Name:
L-Cysteine, N-acetyl-, 2-propen-1-yl ester
CAS Number:
145452-04-6
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
IUPAC Name:
prop-2-enyl (2R)-2-acetamido-3-sulfanylpropanoate
InChI:
InChI=1S/C8H13NO3S/c1-3-4-12-8(11)7(5-13)9-6(2)10/h3,7,13H,1,4-5H2,2H3,(H,9,10)/t7-/m0/s1
InChI Key:
KSHKPIFVSKLDQI-ZETCQYMHSA-N
SMILES:
C=CCOC(=O)[C@@H](NC(=O)C)CS
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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