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72927-80-1 | Benzeneacetaldehyde,3-methyl-
CAS No: 72927-80-1 Catalog No: AG005YTN MDL No:MFCD02261773
Product Description
Catalog Number:
AG005YTN
Chemical Name:
Benzeneacetaldehyde,3-methyl-
CAS Number:
72927-80-1
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD02261773
IUPAC Name:
2-(3-methylphenyl)acetaldehyde
InChI:
InChI=1S/C9H10O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,6-7H,5H2,1H3
InChI Key:
YGHDVPXYUQDBER-UHFFFAOYSA-N
SMILES:
O=CCc1cccc(c1)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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