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16728-00-0 | Cyclopropanecarbonitrile, 1-(4-methoxyphenyl)-
CAS No: 16728-00-0 Catalog No: AG001X8X MDL No:MFCD00019212
Product Description
Catalog Number:
AG001X8X
Chemical Name:
Cyclopropanecarbonitrile, 1-(4-methoxyphenyl)-
CAS Number:
16728-00-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00019212
IUPAC Name:
1-(4-methoxyphenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChI Key:
OIQRGAQXQLASRC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(CC1)C#N
EC Number:
240-786-4
NSC Number:
155169
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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