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116753-55-0 | Benzonitrile, 4-(3-aminopropoxy)-
CAS No: 116753-55-0 Catalog No: AG000D6S MDL No:MFCD16495890
Product Description
Catalog Number:
AG000D6S
Chemical Name:
Benzonitrile, 4-(3-aminopropoxy)-
CAS Number:
116753-55-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD16495890
IUPAC Name:
4-(3-aminopropoxy)benzonitrile
InChI:
InChI=1S/C10H12N2O/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5H,1,6-7,11H2
InChI Key:
GGQULJYGPHOTSA-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)C#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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