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830334-44-6 | Phenol, 2-[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-oxazolyl]-
CAS No: 830334-44-6 Catalog No: AG004XUW MDL No:
Product Description
Catalog Number:
AG004XUW
Chemical Name:
Phenol, 2-[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-oxazolyl]-
CAS Number:
830334-44-6
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-oxazol-5-yl]phenol
InChI:
InChI=1S/C17H14N2O4/c20-13-4-2-1-3-12(13)16-10-18-17(23-16)19-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,20H,7-8H2,(H,18,19)
InChI Key:
JFXMZMUGOYTUHD-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1cnc(o1)Nc1ccc2c(c1)OCCO2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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