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1671-76-7,MFCD00027236
Catalog No.:AA001X1X
1671-76-7 | 1-Pentanone, 1-(4-methoxyphenyl)-
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  • Technical Information
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Technical Information
Catalog Number:
AA001X1X
Chemical Name:
1-Pentanone, 1-(4-methoxyphenyl)-
CAS Number:
1671-76-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00027236
IUPAC Name:
1-(4-methoxyphenyl)pentan-1-one
InChI:
InChI=1S/C12H16O2/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9H,3-5H2,1-2H3
InChI Key:
HNHLNYCFOLMJHR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(cc1)OC
EC Number:
216-803-6
NSC Number:
406939
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
1-(4-Methoxyphenyl)pentan-1-one 
1671-76-7 
AC1Q5EHC 
AC1L2LL7 
AC1Q2V6N 
AC1Q2V6O 
SCHEMBL4530719 
SCHEMBL12015240 
CTK8D1401 
DTXSID70168227 
HNHLNYCFOLMJHR-UHFFFAOYSA-N 
1-(4-Methoxyphenyl)-1-pentanone 
p-Methoxyvalerophenone 
ZINC1599554 
1-Pentanone,1-(4-methoxyphenyl)- 
1-(4-Methoxyphenyl)-1-pentanone # 
AKOS009347319 
MCULE-3952750252 
NSC-406939 
VZ29358 
AJ-27953 
CC-02302 
CJ-25718 
4'-Methoxyvalerophenone 
SC-75790 
AX8000877 
AM20030120 
FT-0695233 
C-08433 
4-METHOXYVALEROPHENONE 
CID74283 
AR-1L1358 
C12-H16-O2 
A3705 
1-Pentanone, 1-(4-methoxyphenyl)- 
17016-39-6 
1-(4-methoxyphenyl)-pentan-1-one 
A1-02041 
EINECS 216-803-6 
NSC406939 
AI3-10517 
Literature
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