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133073-42-4 | 2H-Furo[2,3-h]-1-benzopyran-2-one, 5-(aminomethyl)-
CAS No: 133073-42-4 Catalog No: AG00145O MDL No:
Product Description
Catalog Number:
AG00145O
Chemical Name:
2H-Furo[2,3-h]-1-benzopyran-2-one, 5-(aminomethyl)-
CAS Number:
133073-42-4
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
5-(aminomethyl)furo[2,3-h]chromen-2-one
InChI:
InChI=1S/C12H9NO3/c13-6-7-5-10-9(3-4-15-10)12-8(7)1-2-11(14)16-12/h1-5H,6,13H2
InChI Key:
OVMSUMBDRSTSPB-UHFFFAOYSA-N
SMILES:
NCc1cc2occc2c2c1ccc(=O)o2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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