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15085-71-9 | 3,6-Dioxabicyclo[3.1.0]hexan-2-one, 4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1R,4R,5R)-rel-
CAS No: 15085-71-9 Catalog No: AG001MWK MDL No:MFCD20260414
Product Description
Catalog Number:
AG001MWK
Chemical Name:
3,6-Dioxabicyclo[3.1.0]hexan-2-one, 4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1R,4R,5R)-rel-
CAS Number:
15085-71-9
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
MDL Number:
MFCD20260414
IUPAC Name:
7-methoxy-6-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one
InChI:
InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1
InChI Key:
VIORQNDMAWQQCV-YDHLFZDLSA-N
SMILES:
COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@]2([C@@H]1O2)C
NSC Number:
77149
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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