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102683-34-1 | Benzenepentanal, 3-methyl-
CAS No: 102683-34-1 Catalog No: AG000841 MDL No:
Product Description
Catalog Number:
AG000841
Chemical Name:
Benzenepentanal, 3-methyl-
CAS Number:
102683-34-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
5-(3-methylphenyl)pentanal
InChI:
InChI=1S/C12H16O/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h5-6,8-10H,2-4,7H2,1H3
InChI Key:
DKSNXHNNIYBTFP-UHFFFAOYSA-N
SMILES:
O=CCCCCc1cccc(c1)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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