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Home > Other Heterocycles > 6748-77-2
6748-77-2 | N-(3-HYDROXY-4-METHOXY-9-PHENYL-5,8,10-TRIOXABICYCLO[4.4.0]DEC-2-YL)ACETAMIDE
CAS No: 6748-77-2 Catalog No: AG005NTJ MDL No:
Product Description
Catalog Number:
AG005NTJ
Chemical Name:
N-(3-HYDROXY-4-METHOXY-9-PHENYL-5,8,10-TRIOXABICYCLO[4.4.0]DEC-2-YL)ACETAMIDE
CAS Number:
6748-77-2
Molecular Formula:
C16H21NO6
Molecular Weight:
323.3410
IUPAC Name:
N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)acetamide
InChI:
InChI=1S/C16H21NO6/c1-9(18)17-12-13(19)16(20-2)22-11-8-21-15(23-14(11)12)10-6-4-3-5-7-10/h3-7,11-16,19H,8H2,1-2H3,(H,17,18)
InChI Key:
SZNIHFUZKXFSMY-UHFFFAOYSA-N
SMILES:
COC1OC2COC(OC2C(C1O)NC(=O)C)c1ccccc1
NSC Number:
210821
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.345g/mol
Monoisotopic Mass:
323.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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