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Home > Aldehydes > 831171-87-0
831171-87-0 | Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)-
CAS No: 831171-87-0 Catalog No: AG005BB4 MDL No:
Product Description
Catalog Number:
AG005BB4
Chemical Name:
Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)-
CAS Number:
831171-87-0
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
4-methoxy-2-(2-oxo-3-phenylpropyl)benzaldehyde
InChI:
InChI=1S/C17H16O3/c1-20-17-8-7-14(12-18)15(11-17)10-16(19)9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChI Key:
SIIGCPITCIDEDP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CC(=O)Cc1ccccc1)C=O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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