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1378459-81-4 | 2,3-Dimethylphenethyl acetate
CAS No: 1378459-81-4 Catalog No: AG01FF61 MDL No:
Product Description
Catalog Number:
AG01FF61
Chemical Name:
2,3-Dimethylphenethyl acetate
CAS Number:
1378459-81-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(2,3-dimethylphenyl)ethyl acetate
InChI:
InChI=1S/C12H16O2/c1-9-5-4-6-12(10(9)2)7-8-14-11(3)13/h4-6H,7-8H2,1-3H3
InChI Key:
LOYDDFADDJDKTR-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cccc(c1C)C
Properties
Complexity:
189
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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