Home Carbonyls (2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid, E

(2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid, E

CAS No.:
2060522-85-0
Catalog Number:
AG01C0CP
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG01C0CP
Chemical Name:
(2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid, E
CAS Number:
2060522-85-0
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD30497932
IUPAC Name:
3-(4-methoxycarbonylfuran-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H8O5/c1-13-9(12)6-4-7(14-5-6)2-3-8(10)11/h2-5H,1H3,(H,10,11)
InChI Key:
MFYJHNSYMFVVOG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(oc1)/C=C/C(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  
Properties