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820237-67-0 | Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy-
CAS No: 820237-67-0 Catalog No: AG004Y6R MDL No:
Product Description
Catalog Number:
AG004Y6R
Chemical Name:
Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy-
CAS Number:
820237-67-0
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
2-(4-hydroxybutoxy)-3-methyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C15H22O4/c1-3-9-18-14-7-6-13(11-17)15(12(14)2)19-10-5-4-8-16/h6-7,11,16H,3-5,8-10H2,1-2H3
InChI Key:
VWOARJNYUGBRKX-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCCCO)C=O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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