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17369-57-2 | Acetic acid, (3-methylphenyl)methyl ester
CAS No: 17369-57-2 Catalog No: AG001Z4A MDL No:
Product Description
Catalog Number:
AG001Z4A
Chemical Name:
Acetic acid, (3-methylphenyl)methyl ester
CAS Number:
17369-57-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
(3-methylphenyl)methyl acetate
InChI:
InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChI Key:
QPTQLFCBVFKFLY-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccc(c1)C
EC Number:
241-401-2
UNII:
T1J7W77U7V
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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