200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 129729-66-4
129729-66-4 | 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridinyl)-, (3S,4R)-
CAS No: 129729-66-4 Catalog No: AG000TM0 MDL No:
Product Description
Catalog Number:
AG000TM0
Chemical Name:
2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridinyl)-, (3S,4R)-
CAS Number:
129729-66-4
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile
InChI:
InChI=1S/C17H16N2O3/c1-17(2)16(21)15(19-8-4-3-5-14(19)20)12-9-11(10-18)6-7-13(12)22-17/h3-9,15-16,21H,1-2H3/t15-,16+/m1/s1
InChI Key:
MMSFHQSHXRMPLJ-CVEARBPZSA-N
SMILES:
N#Cc1ccc2c(c1)[C@@H](n1ccccc1=O)[C@@H](C(O2)(C)C)O
UNII:
F1ZL87F3PM
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.