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113949-30-7 | 6H-1,3-Dioxolo[4,5-g][1]benzopyran, 6,6,7-trimethyl-
CAS No: 113949-30-7 Catalog No: AG000A58 MDL No:
Product Description
Catalog Number:
AG000A58
Chemical Name:
6H-1,3-Dioxolo[4,5-g][1]benzopyran, 6,6,7-trimethyl-
CAS Number:
113949-30-7
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
6,6,7-trimethyl-[1,3]dioxolo[4,5-g]chromene
InChI:
InChI=1S/C13H14O3/c1-8-4-9-5-11-12(15-7-14-11)6-10(9)16-13(8,2)3/h4-6H,7H2,1-3H3
InChI Key:
SPGPZJVBCJJVMN-UHFFFAOYSA-N
SMILES:
CC1=Cc2cc3OCOc3cc2OC1(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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