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137060-13-0 | 2H-1-Benzopyran-2-one, 3-ethenyl-5-(methoxymethoxy)-7-pentyl-
CAS No: 137060-13-0 Catalog No: AG0012SB MDL No:
Product Description
Catalog Number:
AG0012SB
Chemical Name:
2H-1-Benzopyran-2-one, 3-ethenyl-5-(methoxymethoxy)-7-pentyl-
CAS Number:
137060-13-0
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
3-ethenyl-5-(methoxymethoxy)-7-pentylchromen-2-one
InChI:
InChI=1S/C18H22O4/c1-4-6-7-8-13-9-16(21-12-20-3)15-11-14(5-2)18(19)22-17(15)10-13/h5,9-11H,2,4,6-8,12H2,1,3H3
InChI Key:
KZMYNXGWCBYXPK-UHFFFAOYSA-N
SMILES:
COCOc1cc(CCCCC)cc2c1cc(C=C)c(=O)o2
Properties
Complexity:
415
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:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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