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37847-24-8 | Ethyl 3-acetylbenzoate
CAS No: 37847-24-8 Catalog No: AG003Q6X MDL No:MFCD02261283
Product Description
Catalog Number:
AG003Q6X
Chemical Name:
Ethyl 3-acetylbenzoate
CAS Number:
37847-24-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD02261283
IUPAC Name:
ethyl 3-acetylbenzoate
InChI:
InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3
InChI Key:
KHTGDCLCPJJWEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C(=O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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