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3549-23-3 | Methyl 2-(4-(tert-butyl)phenyl)acetate
CAS No: 3549-23-3 Catalog No: AG003S2C MDL No:MFCD00051913
Product Description
Catalog Number:
AG003S2C
Chemical Name:
Methyl 2-(4-(tert-butyl)phenyl)acetate
CAS Number:
3549-23-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00051913
IUPAC Name:
methyl 2-(4-tert-butylphenyl)acetate
InChI:
InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChI Key:
HXVTYMWVMVKVTF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)C(C)(C)C
EC Number:
222-602-4
UNII:
8A4H5QO9OJ
FEMA Number:
2690
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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