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476415-64-2 | Pentamethylphenylacetic acid methyl ester
CAS No: 476415-64-2 Catalog No: AG01FBQI MDL No:
Product Description
Catalog Number:
AG01FBQI
Chemical Name:
Pentamethylphenylacetic acid methyl ester
CAS Number:
476415-64-2
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
methyl 2-(2,3,4,5,6-pentamethylphenyl)acetate
InChI:
InChI=1S/C14H20O2/c1-8-9(2)11(4)13(7-14(15)16-6)12(5)10(8)3/h7H2,1-6H3
InChI Key:
KIYBVRKRWCQQMW-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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