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694520-50-8 | BENZALDEHYDE, 2-ACETYL-5-METHYL-
CAS No: 694520-50-8 Catalog No: AG005Z2L MDL No:
Product Description
Catalog Number:
AG005Z2L
Chemical Name:
BENZALDEHYDE, 2-ACETYL-5-METHYL-
CAS Number:
694520-50-8
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
2-acetyl-5-methylbenzaldehyde
InChI:
InChI=1S/C10H10O2/c1-7-3-4-10(8(2)12)9(5-7)6-11/h3-6H,1-2H3
InChI Key:
SMMXWBUOALWELF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1C(=O)C
Properties
Complexity:
186
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:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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