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1622-67-9 | [1,3]Dioxepino[5,6-c]pyridin-9-ol, 1,5-dihydro-8-methyl-3-(1-methylethyl)-
CAS No: 1622-67-9 Catalog No: AG001SVZ MDL No:MFCD00454620
Product Description
Catalog Number:
AG001SVZ
Chemical Name:
[1,3]Dioxepino[5,6-c]pyridin-9-ol, 1,5-dihydro-8-methyl-3-(1-methylethyl)-
CAS Number:
1622-67-9
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD00454620
IUPAC Name:
8-methyl-3-propan-2-yl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol
InChI:
InChI=1S/C12H17NO3/c1-7(2)12-15-5-9-4-13-8(3)11(14)10(9)6-16-12/h4,7,12,14H,5-6H2,1-3H3
InChI Key:
JTDBGJWBSDBUQB-UHFFFAOYSA-N
SMILES:
CC(C1OCc2c(CO1)cnc(c2O)C)C
EC Number:
216-598-3
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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