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700-82-3,MFCD18450739
Catalog No.:AA003HA2
700-82-3 | 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
4 weeks  
$225.00
- +
250mg
4 weeks  
$260.00
- +
500mg
4 weeks  
$300.00
- +
2.5g
4 weeks  
$825.00
- +
5g
4 weeks  
$1,375.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HA2
Chemical Name:
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one
CAS Number:
700-82-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD18450739
IUPAC Name:
3,4,5,6,7,8-hexahydrochromen-2-one
InChI:
InChI=1S/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2
InChI Key:
ODFRBYOJLDRSKF-UHFFFAOYSA-N
SMILES:
O=C1CCC2=C(O1)CCCC2
EC Number:
211-851-4
UNII:
23DDW3J2FU
Properties
Computed Properties
 
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
Hexahydrocoumarin 
700-82-3 
AI3-28144 
AC1L2CGB 
AC1Q6H5I 
SCHEMBL11697777 
CTK9A1802 
DTXSID80220269 
ZINC1845793 
AKOS028108572 
AN-22098 
KS-00000019 
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one 
CID69694 
AR-1J1751 
C9-H12-O2 
Coumarin, 3,4,5,6,7,8-hexahydro- 
7250-81-9 
UNII-23DDW3J2FU 
2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexahydro- 
3,4,5,6,7,8-hexahydrochromen-2-one 
3,4,5,6,7,8-Hexahydrocoumarin 
23DDW3J2FU 
3,4,5,6,7,8-hexahydro-2H-chromen-2-one 
EINECS 211-851-4 
Literature
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