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169339-42-8 | 3-(1,3-DIOXAN-2-YL)BENZALDEHYDE
CAS No: 169339-42-8 Catalog No: AG007UZE MDL No:
Product Description
Catalog Number:
AG007UZE
Chemical Name:
3-(1,3-DIOXAN-2-YL)BENZALDEHYDE
CAS Number:
169339-42-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
3-(1,3-dioxan-2-yl)benzaldehyde
InChI:
InChI=1S/C11H12O3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1,3-4,7-8,11H,2,5-6H2
InChI Key:
FZSFOZVMUJVWRM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C1OCCCO1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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