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136806-22-9

136806-22-9 | 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-

CAS No: 136806-22-9 Catalog No: AG0012E5 MDL No:

Product Description

Catalog Number:
AG0012E5
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-
CAS Number:
136806-22-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
2-oxo-4-(propylamino)chromene-3-carbaldehyde
InChI:
InChI=1S/C13H13NO3/c1-2-7-14-12-9-5-3-4-6-11(9)17-13(16)10(12)8-15/h3-6,8,14H,2,7H2,1H3
InChI Key:
HKFAIEFECPBETD-UHFFFAOYSA-N
SMILES:
CCCNc1c(C=O)c(=O)oc2c1cccc2

Properties

Complexity:
349  
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:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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