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114351-84-7 | 3-Furanpropanal, 3-acetyltetrahydro-2-oxo-
CAS No: 114351-84-7 Catalog No: AG000B4V MDL No:
Product Description
Catalog Number:
AG000B4V
Chemical Name:
3-Furanpropanal, 3-acetyltetrahydro-2-oxo-
CAS Number:
114351-84-7
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
3-(3-acetyl-2-oxooxolan-3-yl)propanal
InChI:
InChI=1S/C9H12O4/c1-7(11)9(3-2-5-10)4-6-13-8(9)12/h5H,2-4,6H2,1H3
InChI Key:
PTHHGJNTIDYWGQ-UHFFFAOYSA-N
SMILES:
O=CCCC1(CCOC1=O)C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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