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Home > Aldehydes > 820238-87-7
820238-87-7 | Benzaldehyde, 3-methyl-2-[2-(1-piperidinyl)ethoxy]-4-propoxy-
CAS No: 820238-87-7 Catalog No: AG0053BW MDL No:
Product Description
Catalog Number:
AG0053BW
Chemical Name:
Benzaldehyde, 3-methyl-2-[2-(1-piperidinyl)ethoxy]-4-propoxy-
CAS Number:
820238-87-7
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
3-methyl-2-(2-piperidin-1-ylethoxy)-4-propoxybenzaldehyde
InChI:
InChI=1S/C18H27NO3/c1-3-12-21-17-8-7-16(14-20)18(15(17)2)22-13-11-19-9-5-4-6-10-19/h7-8,14H,3-6,9-13H2,1-2H3
InChI Key:
TYEPJJWHHOKFOV-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCN1CCCCC1)C=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.418g/mol
Monoisotopic Mass:
305.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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