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1158760-45-2

1158760-45-2 | 3-Furancarboxylic acid, tetrahydro-3-methyl-

CAS No: 1158760-45-2 Catalog No: AG000H0Q MDL No:MFCD12406628

Product Description

Catalog Number:
AG000H0Q
Chemical Name:
3-Furancarboxylic acid, tetrahydro-3-methyl-
CAS Number:
1158760-45-2
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD12406628
IUPAC Name:
3-methyloxolane-3-carboxylic acid
InChI:
InChI=1S/C6H10O3/c1-6(5(7)8)2-3-9-4-6/h2-4H2,1H3,(H,7,8)
InChI Key:
FLZNEKJUIYLHAR-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)COCC1

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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