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476321-36-5 | Methyl 2-[(2,5-dimethylphenyl)sulfanyl]acetate
CAS No: 476321-36-5 Catalog No: AG01FA6H MDL No:MFCD11173985
Product Description
Catalog Number:
AG01FA6H
Chemical Name:
Methyl 2-[(2,5-dimethylphenyl)sulfanyl]acetate
CAS Number:
476321-36-5
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD11173985
IUPAC Name:
methyl 2-(2,5-dimethylphenyl)sulfanylacetate
InChI:
InChI=1S/C11H14O2S/c1-8-4-5-9(2)10(6-8)14-7-11(12)13-3/h4-6H,7H2,1-3H3
InChI Key:
NBAOXXZTTODBBE-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cc(C)ccc1C
Properties
Complexity:
194
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:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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