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50603-79-7

50603-79-7 | N-(7-NITRO-3,4-DIHYDRO-2H-CHROMEN-6-YL)ACETAMIDE

CAS No: 50603-79-7 Catalog No: AG01ELPW MDL No:MFCD25963915

Product Description

Catalog Number:
AG01ELPW
Chemical Name:
N-(7-NITRO-3,4-DIHYDRO-2H-CHROMEN-6-YL)ACETAMIDE
CAS Number:
50603-79-7
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD25963915
IUPAC Name:
N-(7-nitro-3,4-dihydro-2H-chromen-6-yl)acetamide
InChI:
InChI=1S/C11H12N2O4/c1-7(14)12-9-5-8-3-2-4-17-11(8)6-10(9)13(15)16/h5-6H,2-4H2,1H3,(H,12,14)
InChI Key:
DDRJACWVUYHXHI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2CCCOc2cc1[N+](=O)[O-]

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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