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1378821-24-9 | 3,5-Dimethylphenethyl acetate
CAS No: 1378821-24-9 Catalog No: AG01FF64 MDL No:
Product Description
Catalog Number:
AG01FF64
Chemical Name:
3,5-Dimethylphenethyl acetate
CAS Number:
1378821-24-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(3,5-dimethylphenyl)ethyl acetate
InChI:
InChI=1S/C12H16O2/c1-9-6-10(2)8-12(7-9)4-5-14-11(3)13/h6-8H,4-5H2,1-3H3
InChI Key:
RQPZSJYGXZOKED-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cc(C)cc(c1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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