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Home > Aldehydes > 167866-49-1
167866-49-1 | 2H-1-Benzopyran-3-carboxaldehyde, 4-(butylamino)-2-oxo-
CAS No: 167866-49-1 Catalog No: AG001XNE MDL No:
Product Description
Catalog Number:
AG001XNE
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 4-(butylamino)-2-oxo-
CAS Number:
167866-49-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
4-(butylamino)-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C14H15NO3/c1-2-3-8-15-13-10-6-4-5-7-12(10)18-14(17)11(13)9-16/h4-7,9,15H,2-3,8H2,1H3
InChI Key:
ZRDDDCSIZHRDIR-UHFFFAOYSA-N
SMILES:
CCCCNc1c(C=O)c(=O)oc2c1cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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