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Home > Aldehydes > 122978-35-2
122978-35-2 | 2H-1-Benzopyran-3-carboxaldehyde, 4-chloro-2-oxo-7-(1-piperidinyl)-
CAS No: 122978-35-2 Catalog No: AG000JV5 MDL No:
Product Description
Catalog Number:
AG000JV5
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 4-chloro-2-oxo-7-(1-piperidinyl)-
CAS Number:
122978-35-2
Molecular Formula:
C15H14ClNO3
Molecular Weight:
291.7296
IUPAC Name:
4-chloro-2-oxo-7-piperidin-1-ylchromene-3-carbaldehyde
InChI:
InChI=1S/C15H14ClNO3/c16-14-11-5-4-10(17-6-2-1-3-7-17)8-13(11)20-15(19)12(14)9-18/h4-5,8-9H,1-3,6-7H2
InChI Key:
SEXUHOSJRCHWOR-UHFFFAOYSA-N
SMILES:
O=Cc1c(=O)oc2c(c1Cl)ccc(c2)N1CCCCC1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.731g/mol
Monoisotopic Mass:
291.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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