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53078-70-9 | 2-Methoxy-5-methylbenzonitrile
CAS No: 53078-70-9 Catalog No: AG003HJ9 MDL No:MFCD03425693
Product Description
Catalog Number:
AG003HJ9
Chemical Name:
2-Methoxy-5-methylbenzonitrile
CAS Number:
53078-70-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD03425693
IUPAC Name:
2-methoxy-5-methylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3
InChI Key:
MYOASWSDRGHGLN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1OC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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