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113949-29-4 | 2H-1-Benzopyran, 5,8-dimethoxy-2,2-dimethyl-
CAS No: 113949-29-4 Catalog No: AG000A59 MDL No:MFCD21603837
Product Description
Catalog Number:
AG000A59
Chemical Name:
2H-1-Benzopyran, 5,8-dimethoxy-2,2-dimethyl-
CAS Number:
113949-29-4
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD21603837
IUPAC Name:
5,8-dimethoxy-2,2-dimethylchromene
InChI:
InChI=1S/C13H16O3/c1-13(2)8-7-9-10(14-3)5-6-11(15-4)12(9)16-13/h5-8H,1-4H3
InChI Key:
SZTFORJKIVHMFP-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1OC(C)(C)C=C2)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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