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Home > Aldehydes > 919109-48-1
919109-48-1 | Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nonyl-
CAS No: 919109-48-1 Catalog No: AG0068DK MDL No:
Product Description
Catalog Number:
AG0068DK
Chemical Name:
Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nonyl-
CAS Number:
919109-48-1
Molecular Formula:
C17H25ClO2
Molecular Weight:
296.8322
IUPAC Name:
3-(chloromethyl)-2-hydroxy-5-nonylbenzaldehyde
InChI:
InChI=1S/C17H25ClO2/c1-2-3-4-5-6-7-8-9-14-10-15(12-18)17(20)16(11-14)13-19/h10-11,13,20H,2-9,12H2,1H3
InChI Key:
ZSXWJHGAOQGIIA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cc(CCl)c(c(c1)C=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.835g/mol
Monoisotopic Mass:
296.154g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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