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83498-25-3 | 3-BENZYL-2-METHYLBUTYRALDEHYDE
CAS No: 83498-25-3 Catalog No: AG008JAD MDL No:
Product Description
Catalog Number:
AG008JAD
Chemical Name:
3-BENZYL-2-METHYLBUTYRALDEHYDE
CAS Number:
83498-25-3
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2,3-dimethyl-4-phenylbutanal
InChI:
InChI=1S/C12H16O/c1-10(11(2)9-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChI Key:
VQGTZQHEFYJUMA-UHFFFAOYSA-N
SMILES:
O=CC(C(Cc1ccccc1)C)C
EC Number:
280-468-2
Properties
Complexity:
147
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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