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1221819-62-0 | Benzenamine, 4-(3-oxetanyl)-
CAS No: 1221819-62-0 Catalog No: AG0016WF MDL No:MFCD20040419
Product Description
Catalog Number:
AG0016WF
Chemical Name:
Benzenamine, 4-(3-oxetanyl)-
CAS Number:
1221819-62-0
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD20040419
IUPAC Name:
4-(oxetan-3-yl)aniline
InChI:
InChI=1S/C9H11NO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6,10H2
InChI Key:
FPKSWQFAXUXUJX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C1COC1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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