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28921-39-3

28921-39-3 | 2-Furancarboxylic acid, 3-formyl-, methyl ester

CAS No: 28921-39-3 Catalog No: AG002X2R MDL No:MFCD08245262

Product Description

Catalog Number:
AG002X2R
Chemical Name:
2-Furancarboxylic acid, 3-formyl-, methyl ester
CAS Number:
28921-39-3
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD08245262
IUPAC Name:
methyl 3-formylfuran-2-carboxylate
InChI:
InChI=1S/C7H6O4/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3
InChI Key:
WMLYEFDVFZYMCB-UHFFFAOYSA-N
SMILES:
COC(=O)c1occc1C=O

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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