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10242-52-1 | Acetonitrile, 2-[(1-methyl-2-phenylethyl)nitrosoamino]-
CAS No: 10242-52-1 Catalog No: AG0007F3 MDL No:
Product Description
Catalog Number:
AG0007F3
Chemical Name:
Acetonitrile, 2-[(1-methyl-2-phenylethyl)nitrosoamino]-
CAS Number:
10242-52-1
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
N-(cyanomethyl)-N-(1-phenylpropan-2-yl)nitrous amide
InChI:
InChI=1S/C11H13N3O/c1-10(14(13-15)8-7-12)9-11-5-3-2-4-6-11/h2-6,10H,8-9H2,1H3
InChI Key:
YRBXLNGVCMGTFX-UHFFFAOYSA-N
SMILES:
CC(N(CC#N)N=O)Cc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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