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881181-61-9 | ACETALDEHYDE, 2-[(1,3,5-TRIMETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS No: 881181-61-9 Catalog No: AG008CDJ MDL No:
Product Description
Catalog Number:
AG008CDJ
Chemical Name:
ACETALDEHYDE, 2-[(1,3,5-TRIMETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS Number:
881181-61-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-(1,3,5-trimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C11H14O3/c1-8-6-11(3,14-5-4-12)7-9(2)10(8)13/h4,6-7H,5H2,1-3H3
InChI Key:
ZBTBVVQESOMHOH-UHFFFAOYSA-N
SMILES:
O=CCOC1(C)C=C(C)C(=O)C(=C1)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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