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Home > Aldehydes > 1379046-70-4
1379046-70-4 | 3-[(n-Propyloxy)methyl]benzaldehyde
CAS No: 1379046-70-4 Catalog No: AG01FDWA MDL No:
Product Description
Catalog Number:
AG01FDWA
Chemical Name:
3-[(n-Propyloxy)methyl]benzaldehyde
CAS Number:
1379046-70-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3-(propoxymethyl)benzaldehyde
InChI:
InChI=1S/C11H14O2/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h3-5,7-8H,2,6,9H2,1H3
InChI Key:
LRQHUVSUJCYZGD-UHFFFAOYSA-N
SMILES:
CCCOCc1cccc(c1)C=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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