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132321-82-5 | Acetic acid, 2-mercapto-, methoxybutyl ester
CAS No: 132321-82-5 Catalog No: AG0010K8 MDL No:
Product Description
Catalog Number:
AG0010K8
Chemical Name:
Acetic acid, 2-mercapto-, methoxybutyl ester
CAS Number:
132321-82-5
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
IUPAC Name:
1-methoxybutyl 2-sulfanylacetate
InChI:
InChI=1S/C7H14O3S/c1-3-4-7(9-2)10-6(8)5-11/h7,11H,3-5H2,1-2H3
InChI Key:
HAAAYHQKLIGAAE-UHFFFAOYSA-N
SMILES:
COCCCCOC(=O)CS
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.246g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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