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Home > Aldehydes > 1824428-36-5
1824428-36-5 | 2-(3-methylbutyl)benzaldehyde
CAS No: 1824428-36-5 Catalog No: AG01EM9U MDL No:MFCD24687292
Product Description
Catalog Number:
AG01EM9U
Chemical Name:
2-(3-methylbutyl)benzaldehyde
CAS Number:
1824428-36-5
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD24687292
IUPAC Name:
2-(3-methylbutyl)benzaldehyde
InChI:
InChI=1S/C12H16O/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
HYKGBHMQZUCERX-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CCC(C)C
Properties
Complexity:
151
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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