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3672-47-7 | 3-(4-Methoxyphenyl)-3-oxopropanenitrile
CAS No: 3672-47-7 Catalog No: AG003LNB MDL No:MFCD00067889
Product Description
Catalog Number:
AG003LNB
Chemical Name:
3-(4-Methoxyphenyl)-3-oxopropanenitrile
CAS Number:
3672-47-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00067889
IUPAC Name:
3-(4-methoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
IKEPUFCALLUUBC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC#N
NSC Number:
31895
Properties
Complexity:
220
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:
0.9
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