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Home > Aldehydes > 881181-45-9
881181-45-9 | ACETALDEHYDE, 2-[(1-ETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS No: 881181-45-9 Catalog No: AG008CDK MDL No:
Product Description
Catalog Number:
AG008CDK
Chemical Name:
ACETALDEHYDE, 2-[(1-ETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS Number:
881181-45-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-(1-ethyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C10H12O3/c1-2-10(13-8-7-11)5-3-9(12)4-6-10/h3-7H,2,8H2,1H3
InChI Key:
IXCOQFFQMRNFCM-UHFFFAOYSA-N
SMILES:
O=CCOC1(CC)C=CC(=O)C=C1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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