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89764-18-1 | Benzamide, N-[2-(2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl]-
CAS No: 89764-18-1 Catalog No: AG0040MN MDL No:
Product Description
Catalog Number:
AG0040MN
Chemical Name:
Benzamide, N-[2-(2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl]-
CAS Number:
89764-18-1
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
N-[2-(2,2-dimethylchromen-6-yl)ethyl]benzamide
InChI:
InChI=1S/C20H21NO2/c1-20(2)12-10-17-14-15(8-9-18(17)23-20)11-13-21-19(22)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,21,22)
InChI Key:
XLJTYOUWFVTRHZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCCc1ccc2c(c1)C=CC(O2)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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