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10031-90-0 | 2-Furanpropanoic acid, ethyl ester
CAS No: 10031-90-0 Catalog No: AG0001KW MDL No:
Product Description
Catalog Number:
AG0001KW
Chemical Name:
2-Furanpropanoic acid, ethyl ester
CAS Number:
10031-90-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
ethyl 3-(furan-2-yl)propanoate
InChI:
InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
OWIWZQQFSTZZIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccco1
EC Number:
233-097-5
UNII:
2RAP445QD8
NSC Number:
97529
FEMA Number:
2435
Properties
Complexity:
145
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:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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