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96964-44-2 | Benzaldehyde, 2-dodecyl-
CAS No: 96964-44-2 Catalog No: AG006ODF MDL No:
Product Description
Catalog Number:
AG006ODF
Chemical Name:
Benzaldehyde, 2-dodecyl-
CAS Number:
96964-44-2
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
2-dodecylbenzaldehyde
InChI:
InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)17-20/h12-13,15-17H,2-11,14H2,1H3
InChI Key:
WXXNHDGYIVVILR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccccc1C=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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