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161262-45-9 | 7H-Furo[3,2-g][1]benzopyran-7-one, 3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-, hydrochloride (1:1)
CAS No: 161262-45-9 Catalog No: AG001SAC MDL No:
Product Description
Catalog Number:
AG001SAC
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-, hydrochloride (1:1)
CAS Number:
161262-45-9
Molecular Formula:
C17H20ClNO4
Molecular Weight:
337.7980
IUPAC Name:
3-(2-aminoethoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride
InChI:
InChI=1S/C17H19NO4.ClH/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18;/h6-7H,4-5,8,18H2,1-3H3;1H
InChI Key:
MHLAMQBABOJZQW-UHFFFAOYSA-N
SMILES:
NCCOCc1c(C)oc2c1cc1c(C)cc(=O)oc1c2C.Cl
UNII:
67B255SI5F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.8g/mol
Monoisotopic Mass:
337.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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