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127303-90-6 | Acetic acid, oxo-, methylphenyl ester
CAS No: 127303-90-6 Catalog No: AG000WW5 MDL No:
Product Description
Catalog Number:
AG000WW5
Chemical Name:
Acetic acid, oxo-, methylphenyl ester
CAS Number:
127303-90-6
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
(2-methylphenyl) 2-oxoacetate
InChI:
InChI=1S/C9H8O3/c1-7-4-2-3-5-8(7)12-9(11)6-10/h2-6H,1H3
InChI Key:
BNSQXASHMJFAIC-UHFFFAOYSA-N
SMILES:
O=CC(=O)Oc1ccccc1C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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