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116021-14-8 | Propanoic acid, 2-methyl-3-[(methylthio)methoxy]-, methyl ester, (S)- (9CI)
CAS No: 116021-14-8 Catalog No: AG000BET MDL No:
Product Description
Catalog Number:
AG000BET
Chemical Name:
Propanoic acid, 2-methyl-3-[(methylthio)methoxy]-, methyl ester, (S)- (9CI)
CAS Number:
116021-14-8
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
IUPAC Name:
methyl 2-methyl-3-(methylsulfanylmethoxy)propanoate
InChI:
InChI=1S/C7H14O3S/c1-6(7(8)9-2)4-10-5-11-3/h6H,4-5H2,1-3H3
InChI Key:
ITUBLHCSCIOPFV-UHFFFAOYSA-N
SMILES:
CSCOC[C@@H](C(=O)OC)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.246g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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