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Home > Aldehydes > 820237-60-3
820237-60-3 | Benzaldehyde, 2-(3-hydroxypropoxy)-3-methyl-4-propoxy-
CAS No: 820237-60-3 Catalog No: AG005D96 MDL No:
Product Description
Catalog Number:
AG005D96
Chemical Name:
Benzaldehyde, 2-(3-hydroxypropoxy)-3-methyl-4-propoxy-
CAS Number:
820237-60-3
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
2-(3-hydroxypropoxy)-3-methyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C14H20O4/c1-3-8-17-13-6-5-12(10-16)14(11(13)2)18-9-4-7-15/h5-6,10,15H,3-4,7-9H2,1-2H3
InChI Key:
ZKBPEPZVKMUFKZ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCCO)C=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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