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78255-92-2 | L-Aspartic acid, N-(ethoxythioxomethyl)-
CAS No: 78255-92-2 Catalog No: AG0054AF MDL No:
Product Description
Catalog Number:
AG0054AF
Chemical Name:
L-Aspartic acid, N-(ethoxythioxomethyl)-
CAS Number:
78255-92-2
Molecular Formula:
C7H11NO5S
Molecular Weight:
221.2309
IUPAC Name:
(2S)-2-(ethoxycarbothioylamino)butanedioic acid
InChI:
InChI=1S/C7H11NO5S/c1-2-13-7(14)8-4(6(11)12)3-5(9)10/h4H,2-3H2,1H3,(H,8,14)(H,9,10)(H,11,12)/t4-/m0/s1
InChI Key:
JAKBBBNQLTYQBS-BYPYZUCNSA-N
SMILES:
CCOC(=S)N[C@H](C(=O)O)CC(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.227g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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