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89462-55-5 | 4H-1,4-Oxazocine-4-propanenitrile
CAS No: 89462-55-5 Catalog No: AG00442U MDL No:
Product Description
Catalog Number:
AG00442U
Chemical Name:
4H-1,4-Oxazocine-4-propanenitrile
CAS Number:
89462-55-5
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
3-(1,4-oxazocin-4-yl)propanenitrile
InChI:
InChI=1S/C9H10N2O/c10-4-3-6-11-5-1-2-8-12-9-7-11/h1-2,5,7-9H,3,6H2
InChI Key:
YDPACWZUARGVLG-UHFFFAOYSA-N
SMILES:
N#CCCn1ccccocc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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