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Home > Aldehydes > 881181-51-7
881181-51-7 | ACETALDEHYDE, 2-[(4-OXO-1-PHENYL-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS No: 881181-51-7 Catalog No: AG004FSV MDL No:
Product Description
Catalog Number:
AG004FSV
Chemical Name:
ACETALDEHYDE, 2-[(4-OXO-1-PHENYL-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS Number:
881181-51-7
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
2-(4-oxo-1-phenylcyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C14H12O3/c15-10-11-17-14(8-6-13(16)7-9-14)12-4-2-1-3-5-12/h1-10H,11H2
InChI Key:
ZEDVQVGTOLRGCA-UHFFFAOYSA-N
SMILES:
O=CCOC1(C=CC(=O)C=C1)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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