200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 124369-11-5
124369-11-5 | 2(1H)-Pyridinone, 1-(2,3-dihydro-2-hydroxy-3,3-dimethyl-6-nitro-1H-inden-1-yl)-, trans- (9CI)
CAS No: 124369-11-5 Catalog No: AG000LX4 MDL No:
Product Description
Catalog Number:
AG000LX4
Chemical Name:
2(1H)-Pyridinone, 1-(2,3-dihydro-2-hydroxy-3,3-dimethyl-6-nitro-1H-inden-1-yl)-, trans- (9CI)
CAS Number:
124369-11-5
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)pyridin-2-one
InChI:
InChI=1S/C16H16N2O4/c1-16(2)12-7-6-10(18(21)22)9-11(12)14(15(16)20)17-8-4-3-5-13(17)19/h3-9,14-15,20H,1-2H3
InChI Key:
XSUATPWEEHNFMA-UHFFFAOYSA-N
SMILES:
O[C@H]1[C@@H](c2c(C1(C)C)ccc(c2)[N+](=O)[O-])n1ccccc1=O
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.