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821784-20-7 | Phenol, 4-[5-[(1,3-benzodioxol-5-ylmethyl)amino]-3-pyridinyl]-
CAS No: 821784-20-7 Catalog No: AG005I6T MDL No:
Product Description
Catalog Number:
AG005I6T
Chemical Name:
Phenol, 4-[5-[(1,3-benzodioxol-5-ylmethyl)amino]-3-pyridinyl]-
CAS Number:
821784-20-7
Molecular Formula:
C19H16N2O3
Molecular Weight:
320.3419
IUPAC Name:
4-[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]phenol
InChI:
InChI=1S/C19H16N2O3/c22-17-4-2-14(3-5-17)15-8-16(11-20-10-15)21-9-13-1-6-18-19(7-13)24-12-23-18/h1-8,10-11,21-22H,9,12H2
InChI Key:
COMIATJOPUPKPV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cncc(c1)NCc1ccc2c(c1)OCO2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.348g/mol
Monoisotopic Mass:
320.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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