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1820608-72-7 | 2-(5-Formyl-2-methoxyphenyl)acetonitrile
CAS No: 1820608-72-7 Catalog No: AG01FN0C MDL No:MFCD28388531
Product Description
Catalog Number:
AG01FN0C
Chemical Name:
2-(5-Formyl-2-methoxyphenyl)acetonitrile
CAS Number:
1820608-72-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD28388531
IUPAC Name:
2-(5-formyl-2-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H9NO2/c1-13-10-3-2-8(7-12)6-9(10)4-5-11/h2-3,6-7H,4H2,1H3
InChI Key:
GZHBVJUDRTZITK-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C=O)ccc1OC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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