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1379066-26-8 | 2-[(n-Butyloxy)methyl]benzaldehyde
CAS No: 1379066-26-8 Catalog No: AG01FE64 MDL No:
Product Description
Catalog Number:
AG01FE64
Chemical Name:
2-[(n-Butyloxy)methyl]benzaldehyde
CAS Number:
1379066-26-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(butoxymethyl)benzaldehyde
InChI:
InChI=1S/C12H16O2/c1-2-3-8-14-10-12-7-5-4-6-11(12)9-13/h4-7,9H,2-3,8,10H2,1H3
InChI Key:
KRFPEYSSGFVPGJ-UHFFFAOYSA-N
SMILES:
CCCCOCc1ccccc1C=O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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