Home Other Building Blocks METHYL 3-(5-FORMYLFURAN-2-YL)PROPANOATE

METHYL 3-(5-FORMYLFURAN-2-YL)PROPANOATE

CAS No.:
60457-58-1
Catalog Number:
AG01EM94
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
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Product Description
Catalog Number:
AG01EM94
Chemical Name:
METHYL 3-(5-FORMYLFURAN-2-YL)PROPANOATE
CAS Number:
60457-58-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD11118462
IUPAC Name:
methyl 3-(5-formylfuran-2-yl)propanoate
InChI:
InChI=1S/C9H10O4/c1-12-9(11)5-4-7-2-3-8(6-10)13-7/h2-3,6H,4-5H2,1H3
InChI Key:
YXWDSGCGUYHAGU-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(o1)C=O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties