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89027-81-6 | Benzaldehyde, 4-(heptyloxy)-2-hydroxy-
CAS No: 89027-81-6 Catalog No: AG0044BG MDL No:
Product Description
Catalog Number:
AG0044BG
Chemical Name:
Benzaldehyde, 4-(heptyloxy)-2-hydroxy-
CAS Number:
89027-81-6
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
4-heptoxy-2-hydroxybenzaldehyde
InChI:
InChI=1S/C14H20O3/c1-2-3-4-5-6-9-17-13-8-7-12(11-15)14(16)10-13/h7-8,10-11,16H,2-6,9H2,1H3
InChI Key:
UGNJSDOBRITBDS-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(c(c1)O)C=O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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