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Home > Aldehydes > 113437-36-8
113437-36-8 | 3-Azetidinecarboxaldehyde, 2-oxo-4-(2-oxoethoxy)-1-(phenylmethyl)-
CAS No: 113437-36-8 Catalog No: AG0008LM MDL No:
Product Description
Catalog Number:
AG0008LM
Chemical Name:
3-Azetidinecarboxaldehyde, 2-oxo-4-(2-oxoethoxy)-1-(phenylmethyl)-
CAS Number:
113437-36-8
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
1-benzyl-2-oxo-4-(2-oxoethoxy)azetidine-3-carbaldehyde
InChI:
InChI=1S/C13H13NO4/c15-6-7-18-13-11(9-16)12(17)14(13)8-10-4-2-1-3-5-10/h1-6,9,11,13H,7-8H2
InChI Key:
VMLMOIIXLSGOHH-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)N(C1OCC=O)Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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