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88358-47-8 | Butanal, 2-acetyl-3-(phenylmethoxy)-
CAS No: 88358-47-8 Catalog No: AG004GBS MDL No:
Product Description
Catalog Number:
AG004GBS
Chemical Name:
Butanal, 2-acetyl-3-(phenylmethoxy)-
CAS Number:
88358-47-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
2-acetyl-3-phenylmethoxybutanal
InChI:
InChI=1S/C13H16O3/c1-10(15)13(8-14)11(2)16-9-12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3
InChI Key:
KWZROPLHYHGUCS-UHFFFAOYSA-N
SMILES:
O=CC(C(OCc1ccccc1)C)C(=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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