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3929-47-3,MFCD00002951
Catalog No.:AA003HZ0
3929-47-3 | 3-(3,4-Dimethoxyphenyl)-1-propanol
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250mg
99%
1 week  
$88.00   $62.00
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1g
99%
1 week  
$133.00   $93.00
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Technical Information
Catalog Number:
AA003HZ0
Chemical Name:
3-(3,4-Dimethoxyphenyl)-1-propanol
CAS Number:
3929-47-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD00002951
IUPAC Name:
3-(3,4-dimethoxyphenyl)propan-1-ol
InChI:
InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
ZISWRXJZUKDIOO-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(c(c1)OC)OC
EC Number:
223-499-9
UNII:
327PD521ZL
Properties
Computed Properties
 
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
3-(3,4-Dimethoxyphenyl)-1-propanol 
3929-47-3 
ACMC-1CR5S 
AC1L2T8V 
AC1Q46TY 
SCHEMBL81112 
AC1Q577A 
Benzenepropanol,3,4-dimethoxy- 
CHEMBL2088633 
CTK4I1250 
3,4-Dimethoxybenzene-1-propanol 
DTXSID20192532 
3-(3,4-dimethoxyphenyl)propan-1-ol 
ZINC2242701 
AKOS005217780 
3-(3,4dimethoxy-phenyl)-propan-1-ol 
ACM3929473 
MCULE-5468524872 
1-Propanol, 3-(3,4-dimethoxyphenyl) 
3-(3,4-dimethoxy-phenyl)-propan-1-ol 
CC-12343 
TC-170244 
3-(3,4-Dimethoxyphenyl)-1-propanol, 99% 
Benzenepropanol, 3,4-dimethoxy- 
FT-0691890 
ST51038043 
C-33696 
I14-49393 
CID77528 
AR-1H8723 
ZINC02242701 
C11-H16-O3 
4114-94-7 
3,4-Dimethoxybenzenepropanol 
UNII-327PD521ZL 
3-(3,4-Dimethoxyphenyl)propanol 
ZISWRXJZUKDIOO-UHFFFAOYSA-N 
327PD521ZL 
EINECS 223-499-9 
Literature

Title: Structural effects on the OH-promoted fragmentation of methoxy-substituted 1-arylalkanol radical cations in aqueous solution: the role of oxygen acidity.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20010401

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