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68301-82-6 | 2-Amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 68301-82-6 Catalog No: AG006BJ5 MDL No:MFCD03424501
Product Description
Catalog Number:
AG006BJ5
Chemical Name:
2-Amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
68301-82-6
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD03424501
IUPAC Name:
2-amino-4-oxo-6-propan-2-ylchromene-3-carbaldehyde
InChI:
InChI=1S/C13H13NO3/c1-7(2)8-3-4-11-9(5-8)12(16)10(6-15)13(14)17-11/h3-7H,14H2,1-2H3
InChI Key:
DIIFIVCMZHKOEF-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)oc2c(c1=O)cc(cc2)C(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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