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139149-55-6 | Urea, N-[(3S)-2,3-dihydro-6-(phenylmethoxy)-3-benzofuranyl]-N-hydroxy-
CAS No: 139149-55-6 Catalog No: AG001AEO MDL No:
Product Description
Catalog Number:
AG001AEO
Chemical Name:
Urea, N-[(3S)-2,3-dihydro-6-(phenylmethoxy)-3-benzofuranyl]-N-hydroxy-
CAS Number:
139149-55-6
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
1-hydroxy-1-[(3S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]urea
InChI:
InChI=1S/C16H16N2O4/c17-16(19)18(20)14-10-22-15-8-12(6-7-13(14)15)21-9-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H2,17,19)/t14-/m1/s1
InChI Key:
FYAQEFBDKOWIIL-CQSZACIVSA-N
SMILES:
NC(=O)N([C@@H]1COc2c1ccc(c2)OCc1ccccc1)O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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