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16630-60-7 | Butanoic acid, 3-(methylthio)propyl ester
CAS No: 16630-60-7 Catalog No: AG001WM8 MDL No:
Product Description
Catalog Number:
AG001WM8
Chemical Name:
Butanoic acid, 3-(methylthio)propyl ester
CAS Number:
16630-60-7
Molecular Formula:
C8H16O2S
Molecular Weight:
176.2764
IUPAC Name:
3-methylsulfanylpropyl butanoate
InChI:
InChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3
InChI Key:
HSCZLQOPSGMKTK-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCCSC
EC Number:
240-680-8
UNII:
V3QG29SI0P
FEMA Number:
4160
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.274g/mol
Monoisotopic Mass:
176.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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