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114430-33-0 | 2-Furancarboxylic acid, 5-methyl-, propyl ester
CAS No: 114430-33-0 Catalog No: AG000BC8 MDL No:
Product Description
Catalog Number:
AG000BC8
Chemical Name:
2-Furancarboxylic acid, 5-methyl-, propyl ester
CAS Number:
114430-33-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
propyl 5-methylfuran-2-carboxylate
InChI:
InChI=1S/C9H12O3/c1-3-6-11-9(10)8-5-4-7(2)12-8/h4-5H,3,6H2,1-2H3
InChI Key:
JJKJGICTNBUYGQ-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(o1)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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