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Home > Aldehydes > 515877-15-3
515877-15-3 | Benzaldehyde, 4-(6-methyl-2-oxo-2H-pyran-4-yl)-
CAS No: 515877-15-3 Catalog No: AG006V70 MDL No:
Product Description
Catalog Number:
AG006V70
Chemical Name:
Benzaldehyde, 4-(6-methyl-2-oxo-2H-pyran-4-yl)-
CAS Number:
515877-15-3
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
4-(2-methyl-6-oxopyran-4-yl)benzaldehyde
InChI:
InChI=1S/C13H10O3/c1-9-6-12(7-13(15)16-9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChI Key:
BXTJQCNFULSBNG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cc(C)oc(=O)c1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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