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102697-43-8 | Benzeneacetic acid, 4-(ethoxycarbonyl)-α-oxo-, ethyl ester
CAS No: 102697-43-8 Catalog No: AG00085B MDL No:MFCD01319611
Product Description
Catalog Number:
AG00085B
Chemical Name:
Benzeneacetic acid, 4-(ethoxycarbonyl)-α-oxo-, ethyl ester
CAS Number:
102697-43-8
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD01319611
IUPAC Name:
ethyl 4-(2-ethoxy-2-oxoacetyl)benzoate
InChI:
InChI=1S/C13H14O5/c1-3-17-12(15)10-7-5-9(6-8-10)11(14)13(16)18-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
PVWAXIMAWDPJQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)C(=O)OCC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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