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125488-65-5 | Acetic acid, 2-[(1-ethoxyethyl)thio]-
CAS No: 125488-65-5 Catalog No: AG000NQD MDL No:
Product Description
Catalog Number:
AG000NQD
Chemical Name:
Acetic acid, 2-[(1-ethoxyethyl)thio]-
CAS Number:
125488-65-5
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
IUPAC Name:
2-(1-ethoxyethylsulfanyl)acetic acid
InChI:
InChI=1S/C6H12O3S/c1-3-9-5(2)10-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key:
GCKYXVVEABQCSL-UHFFFAOYSA-N
SMILES:
CC(SCC(=O)O)OCC
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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