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2453-31-8 | Methanone, 1-aziridinyl(3-methylphenyl)-
CAS No: 2453-31-8 Catalog No: AG002OFP MDL No:
Product Description
Catalog Number:
AG002OFP
Chemical Name:
Methanone, 1-aziridinyl(3-methylphenyl)-
CAS Number:
2453-31-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
aziridin-1-yl-(3-methylphenyl)methanone
InChI:
InChI=1S/C10H11NO/c1-8-3-2-4-9(7-8)10(12)11-5-6-11/h2-4,7H,5-6H2,1H3
InChI Key:
FAKPNCVFPWQGFK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)N1CC1
NSC Number:
69502
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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