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1342988-09-3 | 3-[(Oxetan-3-ylamino)methyl]benzonitrile
CAS No: 1342988-09-3 Catalog No: AG01FBYJ MDL No:
Product Description
Catalog Number:
AG01FBYJ
Chemical Name:
3-[(Oxetan-3-ylamino)methyl]benzonitrile
CAS Number:
1342988-09-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3-[(oxetan-3-ylamino)methyl]benzonitrile
InChI:
InChI=1S/C11H12N2O/c12-5-9-2-1-3-10(4-9)6-13-11-7-14-8-11/h1-4,11,13H,6-8H2
InChI Key:
YWZVIYYWHRMUPQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CNC1COC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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