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26685-57-4 | 5,5-dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol
CAS No: 26685-57-4 Catalog No: AG01DG60 MDL No:MFCD01662813
Product Description
Catalog Number:
AG01DG60
Chemical Name:
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol
CAS Number:
26685-57-4
Molecular Formula:
C26H37NO2
Molecular Weight:
395.5775
MDL Number:
MFCD01662813
IUPAC Name:
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
InChI:
InChI=1S/C26H37NO2/c1-7-9-10-11-18(3)19(4)20-15-23(28)25-21-17-27(13-8-2)14-12-22(21)26(5,6)29-24(25)16-20/h2,15-16,18-19,28H,7,9-14,17H2,1,3-6H3
InChI Key:
PNEYWTKVWJBOMD-UHFFFAOYSA-N
SMILES:
CCCCCC(C(c1cc(O)c2c(c1)OC(C1=C2CN(CC#C)CC1)(C)C)C)C
NSC Number:
167790
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.282g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.587g/mol
Monoisotopic Mass:
395.282g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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