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100058-92-2 | 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-
CAS No: 100058-92-2 Catalog No: AG0000RY MDL No:
Product Description
Catalog Number:
AG0000RY
Chemical Name:
1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-
CAS Number:
100058-92-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
1,3-dimethoxy-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C11H14O3/c1-12-10-7-8-5-3-4-6-9(8)11(13-2)14-10/h3-6,10-11H,7H2,1-2H3
InChI Key:
HWUKMAKPTPCING-UHFFFAOYSA-N
SMILES:
COC1OC(OC)Cc2c1cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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