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Home > Nitro Compounds > 944899-63-2
944899-63-2 | 7-Nitrochroman-3-one
CAS No: 944899-63-2 Catalog No: AG00H6CZ MDL No:MFCD10696164
Product Description
Catalog Number:
AG00H6CZ
Chemical Name:
7-Nitrochroman-3-one
CAS Number:
944899-63-2
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD10696164
IUPAC Name:
7-nitro-4H-chromen-3-one
InChI:
InChI=1S/C9H7NO4/c11-8-3-6-1-2-7(10(12)13)4-9(6)14-5-8/h1-2,4H,3,5H2
InChI Key:
JXPVXYBZSVHUAV-UHFFFAOYSA-N
SMILES:
O=C1COc2c(C1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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