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34231-78-2 | 3-Formylphenyl acetate
CAS No: 34231-78-2 Catalog No: AG003ISU MDL No:MFCD00016603
Product Description
Catalog Number:
AG003ISU
Chemical Name:
3-Formylphenyl acetate
CAS Number:
34231-78-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00016603
IUPAC Name:
(3-formylphenyl) acetate
InChI:
InChI=1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3
InChI Key:
GVUMZPWBUAGJBP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC(=O)C
EC Number:
251-890-4
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:
1.1
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