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820237-59-0 | Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-
CAS No: 820237-59-0 Catalog No: AG005D97 MDL No:
Product Description
Catalog Number:
AG005D97
Chemical Name:
Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-
CAS Number:
820237-59-0
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
2-(2-hydroxyethoxy)-3-methyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C13H18O4/c1-3-7-16-12-5-4-11(9-15)13(10(12)2)17-8-6-14/h4-5,9,14H,3,6-8H2,1-2H3
InChI Key:
PBOJSDAADHUOPD-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCO)C=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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