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18859-28-4 | Benzonitrile, 4-(2-oxopropoxy)-
CAS No: 18859-28-4 Catalog No: AG002H1B MDL No:
Product Description
Catalog Number:
AG002H1B
Chemical Name:
Benzonitrile, 4-(2-oxopropoxy)-
CAS Number:
18859-28-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4-(2-oxopropoxy)benzonitrile
InChI:
InChI=1S/C10H9NO2/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3
InChI Key:
ZMBPGSPIFXRUCT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCC(=O)C
NSC Number:
211911
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:
0.8
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