Home Carboxys 5-(2-methylcyclopropyl)furan-2-carboxylic acid

5-(2-methylcyclopropyl)furan-2-carboxylic acid

CAS No.:
1094263-50-9
Catalog Number:
AG01A26B
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
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Product Description
Catalog Number:
AG01A26B
Chemical Name:
5-(2-methylcyclopropyl)furan-2-carboxylic acid
CAS Number:
1094263-50-9
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD11179500
IUPAC Name:
5-(2-methylcyclopropyl)furan-2-carboxylic acid
InChI:
InChI=1S/C9H10O3/c1-5-4-6(5)7-2-3-8(12-7)9(10)11/h2-3,5-6H,4H2,1H3,(H,10,11)
InChI Key:
PZVUYARJEJLOEQ-UHFFFAOYSA-N
SMILES:
CC1CC1c1ccc(o1)C(=O)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties