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Home > Aldehydes > 141590-39-8
141590-39-8 | Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS No: 141590-39-8 Catalog No: AG001GNP MDL No:
Product Description
Catalog Number:
AG001GNP
Chemical Name:
Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS Number:
141590-39-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
2-hydroxy-5-methoxy-4-(3-methylbut-2-enoxy)benzaldehyde
InChI:
InChI=1S/C13H16O4/c1-9(2)4-5-17-13-7-11(15)10(8-14)6-12(13)16-3/h4,6-8,15H,5H2,1-3H3
InChI Key:
RBWQOGKHDNZETL-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OCC=C(C)C)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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