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Home > Aldehydes > 1305207-77-5
1305207-77-5 | 3-Oxetaneacetaldehyde, 3-phenyl-
CAS No: 1305207-77-5 Catalog No: AG000UJL MDL No:
Product Description
Catalog Number:
AG000UJL
Chemical Name:
3-Oxetaneacetaldehyde, 3-phenyl-
CAS Number:
1305207-77-5
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
2-(3-phenyloxetan-3-yl)acetaldehyde
InChI:
InChI=1S/C11H12O2/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5,7H,6,8-9H2
InChI Key:
TZGRXDGQGRVZGE-UHFFFAOYSA-N
SMILES:
O=CCC1(COC1)c1ccccc1
Properties
Complexity:
179
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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