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113704-03-3

113704-03-3 | 3-Furancarboxylic acid, 4,5-dihydro-2,5-dimethyl-5-propyl-, methyl ester

CAS No: 113704-03-3 Catalog No: AG0009EM MDL No:

Product Description

Catalog Number:
AG0009EM
Chemical Name:
3-Furancarboxylic acid, 4,5-dihydro-2,5-dimethyl-5-propyl-, methyl ester
CAS Number:
113704-03-3
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
methyl 2,5-dimethyl-2-propyl-3H-furan-4-carboxylate
InChI:
InChI=1S/C11H18O3/c1-5-6-11(3)7-9(8(2)14-11)10(12)13-4/h5-7H2,1-4H3
InChI Key:
ABOPECASPNJWFC-UHFFFAOYSA-N
SMILES:
CCCC1(C)OC(=C(C1)C(=O)OC)C

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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