Home Nitriles 2-methoxy-3-phenylpropanenitrile

2-methoxy-3-phenylpropanenitrile

CAS No.:
81113-09-9
Catalog Number:
AG01ANFA
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG01ANFA
Chemical Name:
2-methoxy-3-phenylpropanenitrile
CAS Number:
81113-09-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD21684391
IUPAC Name:
2-methoxy-3-phenylpropanenitrile
InChI:
InChI=1S/C10H11NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChI Key:
GGUDJFPKTKWDDA-UHFFFAOYSA-N
SMILES:
COC(Cc1ccccc1)C#N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties