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1454-92-8 | Pentanedial, 3-ethoxy-
CAS No: 1454-92-8 Catalog No: AG001KVA MDL No:
Product Description
Catalog Number:
AG001KVA
Chemical Name:
Pentanedial, 3-ethoxy-
CAS Number:
1454-92-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
3-ethoxypentanedial
InChI:
InChI=1S/C7H12O3/c1-2-10-7(3-5-8)4-6-9/h5-7H,2-4H2,1H3
InChI Key:
RMDVUYYLNKBTNC-UHFFFAOYSA-N
SMILES:
CCOC(CC=O)CC=O
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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