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78827-46-0 | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(aminomethyl)-9-methoxy-
CAS No: 78827-46-0 Catalog No: AG005DFN MDL No:
Product Description
Catalog Number:
AG005DFN
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 4-(aminomethyl)-9-methoxy-
CAS Number:
78827-46-0
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
4-(aminomethyl)-9-methoxyfuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C13H11NO4/c1-16-13-11-8(4-5-17-11)9(6-14)7-2-3-10(15)18-12(7)13/h2-5H,6,14H2,1H3
InChI Key:
LIFOOMNHGFBULI-UHFFFAOYSA-N
SMILES:
COc1c2oc(=O)ccc2c(c2c1occ2)CN
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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