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126-97-6 | Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1)
CAS No: 126-97-6 Catalog No: AG000QOF MDL No:MFCD00050789
Product Description
Catalog Number:
AG000QOF
Chemical Name:
Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1)
CAS Number:
126-97-6
Molecular Formula:
C4H11NO3S
Molecular Weight:
153.2000
MDL Number:
MFCD00050789
IUPAC Name:
2-aminoethanol;2-sulfanylacetic acid
InChI:
InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)
InChI Key:
XTJCJAPNPGGFED-UHFFFAOYSA-N
SMILES:
SCC(=O)O.NCCO
EC Number:
204-815-4
UNII:
263SH5220T
Properties
Complexity:
52.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.046g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
153.196g/mol
Monoisotopic Mass:
153.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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