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174872-90-3 | Acetic acid, 2-(phenylthio)-, propyl ester
CAS No: 174872-90-3 Catalog No: AG001ZZZ MDL No:
Product Description
Catalog Number:
AG001ZZZ
Chemical Name:
Acetic acid, 2-(phenylthio)-, propyl ester
CAS Number:
174872-90-3
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
propyl 2-phenylsulfanylacetate
InChI:
InChI=1S/C11H14O2S/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
PGNCCKPNZYBMHV-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CSc1ccccc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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