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1261365-75-6 | tert-Butyl (2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)carbamate
CAS No: 1261365-75-6 Catalog No: AG00HIWV MDL No:MFCD18374087
Product Description
Catalog Number:
AG00HIWV
Chemical Name:
tert-Butyl (2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)carbamate
CAS Number:
1261365-75-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD18374087
IUPAC Name:
tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)carbamate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)14-8-6-9-10(13-7-8)17-5-4-16-9/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key:
TZAOPISIPNHPQT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cnc2c(c1)OCCO2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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