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23189-60-8 | 2(3H)-Furanone, 3,3'-(o-phenylenedimethylene)bis[dihydro-5-methyl- (8CI)
CAS No: 23189-60-8 Catalog No: AG002MGD MDL No:
Product Description
Catalog Number:
AG002MGD
Chemical Name:
2(3H)-Furanone, 3,3'-(o-phenylenedimethylene)bis[dihydro-5-methyl- (8CI)
CAS Number:
23189-60-8
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
5-methyl-3-[[2-[(5-methyl-2-oxooxolan-3-yl)methyl]phenyl]methyl]oxolan-2-one
InChI:
InChI=1S/C18H22O4/c1-11-7-15(17(19)21-11)9-13-5-3-4-6-14(13)10-16-8-12(2)22-18(16)20/h3-6,11-12,15-16H,7-10H2,1-2H3
InChI Key:
SOAJBEJMQHFQQP-UHFFFAOYSA-N
SMILES:
CC1CC(C(=O)O1)Cc1ccccc1CC1CC(OC1=O)C
NSC Number:
138958
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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