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16023-16-8 | Benzenepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester
CAS No: 16023-16-8 Catalog No: AG001RRZ MDL No:
Product Description
Catalog Number:
AG001RRZ
Chemical Name:
Benzenepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester
CAS Number:
16023-16-8
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
ethyl 2-(3-ethoxy-3-oxopropyl)benzoate
InChI:
InChI=1S/C14H18O4/c1-3-17-13(15)10-9-11-7-5-6-8-12(11)14(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
RBQKGMZVELTTFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccccc1C(=O)OCC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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