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81698-95-5 | Benzaldehyde, 3,5-diethyl-
CAS No: 81698-95-5 Catalog No: AG0051BY MDL No:MFCD09743751
Product Description
Catalog Number:
AG0051BY
Chemical Name:
Benzaldehyde, 3,5-diethyl-
CAS Number:
81698-95-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD09743751
IUPAC Name:
3,5-diethylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-3-9-5-10(4-2)7-11(6-9)8-12/h5-8H,3-4H2,1-2H3
InChI Key:
PNJMDOYTIFLVEX-UHFFFAOYSA-N
SMILES:
CCc1cc(CC)cc(c1)C=O
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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