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Home > Aldehydes > 887588-70-7
887588-70-7 | 3-Azetidinecarboxaldehyde, 1-benzoyl-
CAS No: 887588-70-7 Catalog No: AG008BDT MDL No:
Product Description
Catalog Number:
AG008BDT
Chemical Name:
3-Azetidinecarboxaldehyde, 1-benzoyl-
CAS Number:
887588-70-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-benzoylazetidine-3-carbaldehyde
InChI:
InChI=1S/C11H11NO2/c13-8-9-6-12(7-9)11(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChI Key:
DNUJRCKTQPZTGQ-UHFFFAOYSA-N
SMILES:
O=CC1CN(C1)C(=O)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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