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81172-92-1 | 4-(1,3-DIOXAN-2-YL)BENZALDEHYDE
CAS No: 81172-92-1 Catalog No: AG004ZHO MDL No:
Product Description
Catalog Number:
AG004ZHO
Chemical Name:
4-(1,3-DIOXAN-2-YL)BENZALDEHYDE
CAS Number:
81172-92-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
4-(1,3-dioxan-2-yl)benzaldehyde
InChI:
InChI=1S/C11H12O3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,8,11H,1,6-7H2
InChI Key:
SDUIMUSDSWDYOT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1OCCCO1
Properties
Complexity:
179
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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