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59452-89-0 | Benzeneacetaldehyde, alpha,3-dimethyl-
CAS No: 59452-89-0 Catalog No: AG01FCUA MDL No:
Product Description
Catalog Number:
AG01FCUA
Chemical Name:
Benzeneacetaldehyde, alpha,3-dimethyl-
CAS Number:
59452-89-0
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
2-(3-methylphenyl)propanal
InChI:
InChI=1S/C10H12O/c1-8-4-3-5-10(6-8)9(2)7-11/h3-7,9H,1-2H3
InChI Key:
BQOMLDKKNSTBKM-UHFFFAOYSA-N
SMILES:
O=CC(c1cccc(c1)C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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