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5406-18-8 | 3-(4-Methoxyphenyl)propan-1-ol
CAS No: 5406-18-8 Catalog No: AG003I4X MDL No:MFCD00002952
Product Description
Catalog Number:
AG003I4X
Chemical Name:
3-(4-Methoxyphenyl)propan-1-ol
CAS Number:
5406-18-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00002952
IUPAC Name:
3-(4-methoxyphenyl)propan-1-ol
InChI:
InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChI Key:
NIIDHUCLROLCBU-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)OC
EC Number:
226-463-0
NSC Number:
5311
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Four new glucosides from the aerial parts of Mediasia macrophylla. | Journal of natural medicines 20110101 |
| Synthetic esters recognized by glucuronoyl esterase from Schizophyllum commune. | Archives of microbiology 20070801 |
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