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820238-21-9 | Benzaldehyde, 2,3-diethyl-4-pentyl-
CAS No: 820238-21-9 Catalog No: AG004Y6N MDL No:
Product Description
Catalog Number:
AG004Y6N
Chemical Name:
Benzaldehyde, 2,3-diethyl-4-pentyl-
CAS Number:
820238-21-9
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
2,3-diethyl-4-pentylbenzaldehyde
InChI:
InChI=1S/C16H24O/c1-4-7-8-9-13-10-11-14(12-17)16(6-3)15(13)5-2/h10-12H,4-9H2,1-3H3
InChI Key:
RLCCCMRERHHSEG-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1CC)CC)C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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