493-05-0,MFCD00006913
Catalog No.:AA003R0S

493-05-0 | Isochroman

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$8.00   $6.00
- +
10g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$16.00   $12.00
- +
100g
98%
in stock  
$49.00   $34.00
- +
500g
98%
in stock  
$207.00   $145.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R0S
Chemical Name:
Isochroman
CAS Number:
493-05-0
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD00006913
SMILES:
O1CCc2c(C1)cccc2
NSC Number:
63362
Properties
Properties
 
BP:
228.3°C at 760 mmHg  
Form:
Liquid  
MP:
4.35°C  
Refractive Index:
n20/D 1.545(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
111  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Upstream Synthesis Route

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Downstream Synthesis Route

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Tags:493-05-0 Molecular Formula|493-05-0 MDL|493-05-0 SMILES|493-05-0 Isochroman
Catalog No.: AA003R0S
493-05-0,MFCD00006913
493-05-0 | Isochroman
Pack Size: 5g
Purity: 98%
in stock
$8.00 $6.00
Pack Size: 10g
Purity: 98%
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$11.00 $8.00
Pack Size: 25g
Purity: 98%
in stock
$16.00 $12.00
Pack Size: 100g
Purity: 98%
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Pack Size: 500g
Purity: 98%
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Technical Information
Catalog Number: AA003R0S
Chemical Name: Isochroman
CAS Number: 493-05-0
Molecular Formula: C9H10O
Molecular Weight: 134.1751
MDL Number: MFCD00006913
SMILES: O1CCc2c(C1)cccc2
NSC Number: 63362
Properties
BP: 228.3°C at 760 mmHg  
Form: Liquid  
MP: 4.35°C  
Refractive Index: n20/D 1.545(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 111  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Upstream Synthesis Route
493-05-0    25939-81-5 

[1]ChemischeBerichte,1958,vol.91,p.1133,1138

[2]ChemischeBerichte,1958,vol.91,p.1133,1138

493-05-0    62-53-3    3340-78-1 

[1]ChemicalCommunications,2014,vol.50,#64,p.8985-8988

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493-05-0    3340-78-1 

[1]ChemicalandPharmaceuticalBulletin,2013,vol.61,#2,p.204-211

[2]Molecules,2013,vol.18,#9,p.10413-10424

493-05-0    28272-96-0 

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[2]AnnalesdeChimie(Cachan,France),1954,vol.<12>9,p.431,363

493-05-0    25109-86-8 

[1]Patent:US2013/231338,2013,A1,

Downstream Synthesis Route
493-05-0    62-53-3    3340-78-1 

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