Home Carboxys 1-(Ethoxycarbonyl)cyclopent-3-enecarboxylic acid

1-(Ethoxycarbonyl)cyclopent-3-enecarboxylic acid

CAS No.:
76910-08-2
Catalog Number:
AG003D38
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003D38
Chemical Name:
1-(Ethoxycarbonyl)cyclopent-3-enecarboxylic acid
CAS Number:
76910-08-2
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD04115568
IUPAC Name:
1-ethoxycarbonylcyclopent-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H12O4/c1-2-13-8(12)9(7(10)11)5-3-4-6-9/h3-4H,2,5-6H2,1H3,(H,10,11)
InChI Key:
LIIWCZWMZNRZSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC=CC1)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties