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143288-28-2 | Oxazole,2-[4-(3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]-4,5-dihydro-
CAS No: 143288-28-2 Catalog No: AG007K8X MDL No:
Product Description
Catalog Number:
AG007K8X
Chemical Name:
Oxazole,2-[4-(3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]-4,5-dihydro-
CAS Number:
143288-28-2
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C18H17NO2/c1-2-4-17-15(3-1)11-16(12-21-17)13-5-7-14(8-6-13)18-19-9-10-20-18/h1-8,16H,9-12H2
InChI Key:
AZCAFMKVYBPFFP-UHFFFAOYSA-N
SMILES:
C1CN=C(O1)c1ccc(cc1)C1COc2c(C1)cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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