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130837-92-2 | 2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylcarbonyl)-4-(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4R)-
CAS No: 130837-92-2 Catalog No: AG000V03 MDL No:MFCD20260735
Product Description
Catalog Number:
AG000V03
Chemical Name:
2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylcarbonyl)-4-(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4R)-
CAS Number:
130837-92-2
Molecular Formula:
C20H16O7
Molecular Weight:
368.3368
MDL Number:
MFCD20260735
IUPAC Name:
(3S,4R)-3-(1,3-benzodioxole-5-carbonyl)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
InChI:
InChI=1S/C20H16O7/c21-19(12-2-4-15-17(7-12)27-10-25-15)18-13(8-23-20(18)22)5-11-1-3-14-16(6-11)26-9-24-14/h1-4,6-7,13,18H,5,8-10H2/t13-,18-/m0/s1
InChI Key:
NJTZMJYMSGEBJC-UGSOOPFHSA-N
SMILES:
O=C1OC[C@@H]([C@H]1C(=O)c1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
368.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.341g/mol
Monoisotopic Mass:
368.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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