200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 137081-41-5

137081-41-5

137081-41-5 | Cyclopropanecarboxylic acid, 1-fluoro-

CAS No: 137081-41-5 Catalog No: AG0012TH MDL No:MFCD18205954

Product Description

Catalog Number:
AG0012TH
Chemical Name:
Cyclopropanecarboxylic acid, 1-fluoro-
CAS Number:
137081-41-5
Molecular Formula:
C4H5FO2
Molecular Weight:
104.0797
MDL Number:
MFCD18205954
IUPAC Name:
1-fluorocyclopropane-1-carboxylic acid
InChI:
InChI=1S/C4H5FO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
InChI Key:
NDCPERCVXDYEFU-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CC1

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.027g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
104.08g/mol
Monoisotopic Mass:
104.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Literature

Title Journal
A microwave and quantum chemical study of the conformational properties and intramolecular hydrogen bonding of 1-fluorocyclopropanecarboxylic acid. The journal of physical chemistry. A 20050721
Enantioselective preparation of ring-fused 1-fluorocyclopropane-1-carboxylate derivatives: en route to mGluR 2 receptor agonist MGS0028. Organic letters 20041014

© 2019 Angene International Limited. All rights Reserved.