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142148-12-7 | Cyclopropaneacetonitrile, 1-[(benzoyloxy)methyl]-
CAS No: 142148-12-7 Catalog No: AG001HUM MDL No:
Product Description
Catalog Number:
AG001HUM
Chemical Name:
Cyclopropaneacetonitrile, 1-[(benzoyloxy)methyl]-
CAS Number:
142148-12-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
[1-(cyanomethyl)cyclopropyl]methyl benzoate
InChI:
InChI=1S/C13H13NO2/c14-9-8-13(6-7-13)10-16-12(15)11-4-2-1-3-5-11/h1-5H,6-8,10H2
InChI Key:
CVEIKFUDDMHOKT-UHFFFAOYSA-N
SMILES:
N#CCC1(CC1)COC(=O)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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