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128398-41-4 | 2H-1-Benzopyran-2,5(6H)-dione, 3-amino-7,8-dihydro-7,7-dimethyl-
CAS No: 128398-41-4 Catalog No: AG000Y25 MDL No:
Product Description
Catalog Number:
AG000Y25
Chemical Name:
2H-1-Benzopyran-2,5(6H)-dione, 3-amino-7,8-dihydro-7,7-dimethyl-
CAS Number:
128398-41-4
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
3-amino-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
InChI:
InChI=1S/C11H13NO3/c1-11(2)4-8(13)6-3-7(12)10(14)15-9(6)5-11/h3H,4-5,12H2,1-2H3
InChI Key:
MPQRXDRHZMGAAL-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1cc(N)c(=O)o2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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