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73318-83-9 | Benzeneacetaldehyde,3-methyl-a-oxo-
CAS No: 73318-83-9 Catalog No: AG00619A MDL No:
Product Description
Catalog Number:
AG00619A
Chemical Name:
Benzeneacetaldehyde,3-methyl-a-oxo-
CAS Number:
73318-83-9
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
2-(3-methylphenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C9H8O2.H2O/c1-7-3-2-4-8(5-7)9(11)6-10;/h2-6H,1H3;1H2
InChI Key:
FELZGBGSCYPJCJ-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cccc(c1)C.O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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