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81741-81-3 | Pentanoic acid, 2-[(3-methoxy-3-oxopropyl)thio]-, methyl ester
CAS No: 81741-81-3 Catalog No: AG005756 MDL No:
Product Description
Catalog Number:
AG005756
Chemical Name:
Pentanoic acid, 2-[(3-methoxy-3-oxopropyl)thio]-, methyl ester
CAS Number:
81741-81-3
Molecular Formula:
C10H18O4S
Molecular Weight:
234.3125
IUPAC Name:
methyl 2-(3-methoxy-3-oxopropyl)sulfanylpentanoate
InChI:
InChI=1S/C10H18O4S/c1-4-5-8(10(12)14-3)15-7-6-9(11)13-2/h8H,4-7H2,1-3H3
InChI Key:
WZLILWQALWZCCL-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OC)SCCC(=O)OC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.31g/mol
Monoisotopic Mass:
234.093g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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