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Home > Nitro Compounds > 629621-87-0
629621-87-0 | 6-nitro-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-one
CAS No: 629621-87-0 Catalog No: AG01BOX9 MDL No:MFCD30499687
Product Description
Catalog Number:
AG01BOX9
Chemical Name:
6-nitro-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-one
CAS Number:
629621-87-0
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD30499687
IUPAC Name:
6-nitrospiro[3H-chromene-2,1'-cyclopentane]-4-one
InChI:
InChI=1S/C13H13NO4/c15-11-8-13(5-1-2-6-13)18-12-4-3-9(14(16)17)7-10(11)12/h3-4,7H,1-2,5-6,8H2
InChI Key:
JVNWEYGQAYMBSI-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)Oc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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