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1276024-97-5 | 4-(OXAN-4-YL)BENZALDEHYDE
CAS No: 1276024-97-5 Catalog No: AG01BZG3 MDL No:MFCD24678348
Product Description
Catalog Number:
AG01BZG3
Chemical Name:
4-(OXAN-4-YL)BENZALDEHYDE
CAS Number:
1276024-97-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD24678348
IUPAC Name:
4-(oxan-4-yl)benzaldehyde
InChI:
InChI=1S/C12H14O2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9,12H,5-8H2
InChI Key:
KBWACNUZFFPOKQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1CCOCC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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