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10036-17-6 | Benzoic acid, 3-(3-ethoxy-3-oxo-1-propen-1-yl)-, ethyl ester
CAS No: 10036-17-6 Catalog No: AG0001PC MDL No:
Product Description
Catalog Number:
AG0001PC
Chemical Name:
Benzoic acid, 3-(3-ethoxy-3-oxo-1-propen-1-yl)-, ethyl ester
CAS Number:
10036-17-6
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
InChI:
InChI=1S/C14H16O4/c1-3-17-13(15)9-8-11-6-5-7-12(10-11)14(16)18-4-2/h5-10H,3-4H2,1-2H3
InChI Key:
GTTNSCOSTVJCGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cccc(c1)C(=O)OCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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