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Home > Aldehydes > 941283-16-5
941283-16-5 | ACETALDEHYDE, 2-[(1,3-DIMETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS No: 941283-16-5 Catalog No: AG005U88 MDL No:
Product Description
Catalog Number:
AG005U88
Chemical Name:
ACETALDEHYDE, 2-[(1,3-DIMETHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS Number:
941283-16-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-(1,3-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C10H12O3/c1-8-7-10(2,13-6-5-11)4-3-9(8)12/h3-5,7H,6H2,1-2H3
InChI Key:
SHBTWTJWRXSJJG-UHFFFAOYSA-N
SMILES:
O=CCOC1(C)C=CC(=O)C(=C1)C
Properties
Complexity:
289
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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