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1399654-82-0 | 5'-nitro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-2'-one
CAS No: 1399654-82-0 Catalog No: AG00HVPO MDL No:MFCD22420937
Product Description
Catalog Number:
AG00HVPO
Chemical Name:
5'-nitro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-2'-one
CAS Number:
1399654-82-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD22420937
IUPAC Name:
5-nitrospiro[1H-indole-3,1'-cyclopropane]-2-one
InChI:
InChI=1S/C10H8N2O3/c13-9-10(3-4-10)7-5-6(12(14)15)1-2-8(7)11-9/h1-2,5H,3-4H2,(H,11,13)
InChI Key:
OOYCLILZCXINKA-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CC3)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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