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79688-37-2 | Benzaldehyde, 2-hydroxy-6-pentadecyl-
CAS No: 79688-37-2 Catalog No: AG005IMU MDL No:
Product Description
Catalog Number:
AG005IMU
Chemical Name:
Benzaldehyde, 2-hydroxy-6-pentadecyl-
CAS Number:
79688-37-2
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
IUPAC Name:
2-hydroxy-6-pentadecylbenzaldehyde
InChI:
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-22(24)21(20)19-23/h15,17-19,24H,2-14,16H2,1H3
InChI Key:
OXPKLBOZCFCCDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cccc(c1C=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.528g/mol
Monoisotopic Mass:
332.272g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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