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35276-83-6,MFCD01993554
Catalog No.:AA003HH3
35276-83-6 | 3-(2-Methoxyphenyl)-3-oxo-propionitrile
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Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$30.00
- +
5g
96%
in stock  
$117.00
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25g
96%
in stock  
$409.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HH3
Chemical Name:
3-(2-Methoxyphenyl)-3-oxo-propionitrile
CAS Number:
35276-83-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01993554
IUPAC Name:
3-(2-methoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
VJOMMMVJTFRJAT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccc1OC
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-Methoxybenzoylacetonitrile 
35276-83-6 
BENZENEPROPANENITRILE, 2-METHOXY-BETA-OXO- 
SCHEMBL741500 
CTK4H4163 
DTXSID50407161 
VJOMMMVJTFRJAT-UHFFFAOYSA-N 
alpha-Cyano-2'-methoxyacetophenone 
HMS1377A21 
ALBB-027422 
KS-00000C0M 
ZINC2576177 
3-(2-Methoxyphenyl)-3-oxo-propionitrile 
4382AB 
AB1485 
ANW-44394 
MFCD01993554 
SBB089034 
STL431476 
AKOS000206983 
AB10610 
AC-7399 
AN-9021 
3-(2-methoxyphenyl)-3-oxopropanenitrile 
Benzenepropanenitrile,2-methoxy-b-oxo- 
MCULE-9290129943 
TRA0000678 
AJ-42495 
CJ-10096 
SC-40820 
SY006042 
3-(2-methoxyphenyl)-3-oxo-propanenitrile 
AB0048665 
DB-013188 
3-(2-Methoxy-phenyl)-3-oxo-propionitrile 
ST2404712 
TC-133139 
4CH-018391 
A6197 
FT-0604217 
EN300-13962 
K-8003 
J-509854 
Z94598634 
C10H9NO2 
PubChem12069 
ZINC02576177 
ACN-030280 
CID4962750 
2-Methoxy-beta-oxo-benzenepropanenitrile 
AC1NLR3B 
ChemDiv2_002837 
o-methoxybenzoylacetonitrile 
AC1Q44YR 
Literature
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