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14333-52-9 | Benzeneacetaldehyde,4-ethoxy-a-oxo-
CAS No: 14333-52-9 Catalog No: AG007K7Y MDL No:MFCD08448031
Product Description
Catalog Number:
AG007K7Y
Chemical Name:
Benzeneacetaldehyde,4-ethoxy-a-oxo-
CAS Number:
14333-52-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD08448031
IUPAC Name:
2-(4-ethoxyphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C10H10O3/c1-2-13-9-5-3-8(4-6-9)10(12)7-11/h3-7H,2H2,1H3
InChI Key:
DHUGUISSXSSEKE-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C=O
NSC Number:
400603
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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