Home Carboxys bicyclo[2.1.0]pentane-1-carboxylic acid

bicyclo[2.1.0]pentane-1-carboxylic acid

CAS No.:
32811-83-9
Catalog Number:
AG01BTNQ
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
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Product Description
Catalog Number:
AG01BTNQ
Chemical Name:
bicyclo[2.1.0]pentane-1-carboxylic acid
CAS Number:
32811-83-9
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD19230349
IUPAC Name:
bicyclo[2.1.0]pentane-1-carboxylic acid
InChI:
InChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8)
InChI Key:
URZGHXFWPDANHP-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC2C1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties