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890646-74-9,MFCD07802412
Catalog No.:AA01BIXZ

890646-74-9 | 3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid

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Technical Information
Catalog Number:
AA01BIXZ
Chemical Name:
3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
CAS Number:
890646-74-9
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD07802412
SMILES:
Cc1ccc2c(c1)C(=O)OC(C2)(C)C(=O)O
Properties
Computed Properties
 
Complexity:
325  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2  

Literature
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Additional Info:
SDS
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Tags:890646-74-9 Molecular Formula|890646-74-9 MDL|890646-74-9 SMILES|890646-74-9 3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid