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88313-66-0 | Acetamide, N-[3-diazo-2-oxo-1-(phenylmethyl)propyl]-
CAS No: 88313-66-0 Catalog No: AG0048HE MDL No:
Product Description
Catalog Number:
AG0048HE
Chemical Name:
Acetamide, N-[3-diazo-2-oxo-1-(phenylmethyl)propyl]-
CAS Number:
88313-66-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-(4-diazo-3-oxo-1-phenylbutan-2-yl)acetamide
InChI:
InChI=1S/C12H13N3O2/c1-9(16)15-11(12(17)8-14-13)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,15,16)
InChI Key:
NRTIPIVQGBHJIU-UHFFFAOYSA-N
SMILES:
O=C(C(Cc1ccccc1)NC(=O)C)C=[N+]=[N-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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