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14677-99-7 | 2-Propynenitrile, 3-(4-methoxyphenyl)-
CAS No: 14677-99-7 Catalog No: AG001EBG MDL No:
Product Description
Catalog Number:
AG001EBG
Chemical Name:
2-Propynenitrile, 3-(4-methoxyphenyl)-
CAS Number:
14677-99-7
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
3-(4-methoxyphenyl)prop-2-ynenitrile
InChI:
InChI=1S/C10H7NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,1H3
InChI Key:
JGVUWVQOTGKTHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CC#N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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