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101468-13-7 | 2H-1-Benzopyran-2-one, 3-amino-4-(diethylamino)-
CAS No: 101468-13-7 Catalog No: AG0004JN MDL No:
Product Description
Catalog Number:
AG0004JN
Chemical Name:
2H-1-Benzopyran-2-one, 3-amino-4-(diethylamino)-
CAS Number:
101468-13-7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-amino-4-(diethylamino)chromen-2-one
InChI:
InChI=1S/C13H16N2O2/c1-3-15(4-2)12-9-7-5-6-8-10(9)17-13(16)11(12)14/h5-8H,3-4,14H2,1-2H3
InChI Key:
VGSSSRDHKMKFIO-UHFFFAOYSA-N
SMILES:
CCN(c1c(N)c(=O)oc2c1cccc2)CC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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