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Home > Aldehydes > 1403766-84-6
1403766-84-6 | Benzaldehyde, 4-(3-methyl-3-oxetanyl)-
CAS No: 1403766-84-6 Catalog No: AG001CB1 MDL No:MFCD23106288
Product Description
Catalog Number:
AG001CB1
Chemical Name:
Benzaldehyde, 4-(3-methyl-3-oxetanyl)-
CAS Number:
1403766-84-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD23106288
IUPAC Name:
4-(3-methyloxetan-3-yl)benzaldehyde
InChI:
InChI=1S/C11H12O2/c1-11(7-13-8-11)10-4-2-9(6-12)3-5-10/h2-6H,7-8H2,1H3
InChI Key:
OKCCDNLFJULOPI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1(C)COC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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