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113386-18-8 | 2H-1-Benzopyran, 3,4-dihydro-4-(4-methoxyphenyl)-
CAS No: 113386-18-8 Catalog No: AG0008DZ MDL No:
Product Description
Catalog Number:
AG0008DZ
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-4-(4-methoxyphenyl)-
CAS Number:
113386-18-8
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C16H16O2/c1-17-13-8-6-12(7-9-13)14-10-11-18-16-5-3-2-4-15(14)16/h2-9,14H,10-11H2,1H3
InChI Key:
KGLWGNDJBBCSQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCOc2c1cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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