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400751-55-5,MFCD03001219
Catalog No.:AA00IOYX

400751-55-5 | 3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
1 week  
$181.00   $127.00
- +
1g
>95%
1 week  
$240.00   $168.00
- +
5g
>95%
1 week  
$658.00   $460.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IOYX
Chemical Name:
3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid
CAS Number:
400751-55-5
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
MDL Number:
MFCD03001219
SMILES:
COc1cccc(c1)C1OC(=O)c2c(C1C(=O)O)cccc2
Properties
Computed Properties
 
Complexity:
435  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

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SDS
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Tags:400751-55-5 Molecular Formula|400751-55-5 MDL|400751-55-5 SMILES|400751-55-5 3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid
Catalog No.: AA00IOYX
400751-55-5,MFCD03001219
400751-55-5 | 3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid
Pack Size： 500mg
Purity： >95%
1 week
$181.00 $127.00
Pack Size： 1g
Purity： >95%
1 week
$240.00 $168.00
Pack Size： 5g
Purity： >95%
1 week
$658.00 $460.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IOYX
Chemical Name: 3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid
CAS Number: 400751-55-5
Molecular Formula: C17H14O5
Molecular Weight: 298.2901
MDL Number: MFCD03001219
SMILES: COc1cccc(c1)C1OC(=O)c2c(C1C(=O)O)cccc2
Properties
Complexity: 435  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
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