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39246-00-9 | 2-[4-(2-oxoethyl)phenyl]acetaldehyde
CAS No: 39246-00-9 Catalog No: AG01BC8U MDL No:MFCD17170721
Product Description
Catalog Number:
AG01BC8U
Chemical Name:
2-[4-(2-oxoethyl)phenyl]acetaldehyde
CAS Number:
39246-00-9
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD17170721
IUPAC Name:
2-[4-(2-oxoethyl)phenyl]acetaldehyde
InChI:
InChI=1S/C10H10O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,7-8H,5-6H2
InChI Key:
UOPOVDXLQHCGPJ-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)CC=O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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