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Home > Aldehydes > 136806-18-3
136806-18-3 | 2H-1-Benzopyran-3-carboxaldehyde, 4-amino-2-oxo-
CAS No: 136806-18-3 Catalog No: AG0012E6 MDL No:
Product Description
Catalog Number:
AG0012E6
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 4-amino-2-oxo-
CAS Number:
136806-18-3
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
4-amino-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H7NO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H,11H2
InChI Key:
PKUZHBMTZROFAS-UHFFFAOYSA-N
SMILES:
O=Cc1c(=O)oc2c(c1N)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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