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113793-52-5 | Homocysteine, N-acetyl-S-(2-chloroethyl)-
CAS No: 113793-52-5 Catalog No: AG0009PI MDL No:
Product Description
Catalog Number:
AG0009PI
Chemical Name:
Homocysteine, N-acetyl-S-(2-chloroethyl)-
CAS Number:
113793-52-5
Molecular Formula:
C8H14ClNO3S
Molecular Weight:
239.7197
IUPAC Name:
(2S)-2-acetamido-4-(2-chloroethylsulfanyl)butanoic acid
InChI:
InChI=1S/C8H14ClNO3S/c1-6(11)10-7(8(12)13)2-4-14-5-3-9/h7H,2-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChI Key:
GIKPDTMIMLDRLC-ZETCQYMHSA-N
SMILES:
ClCCSCC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.714g/mol
Monoisotopic Mass:
239.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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