200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1225532-90-0
1225532-90-0 | 1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-, 1-(1-methylethyl) ester
CAS No: 1225532-90-0 Catalog No: AG0017FX MDL No:MFCD23105828
Product Description
Catalog Number:
AG0017FX
Chemical Name:
1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-, 1-(1-methylethyl) ester
CAS Number:
1225532-90-0
Molecular Formula:
C9H11F2O4-
Molecular Weight:
221.1780
MDL Number:
MFCD23105828
IUPAC Name:
3,3-difluoro-1-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C9H12F2O4/c1-5(2)15-7(14)8(6(12)13)3-9(10,11)4-8/h5H,3-4H2,1-2H3,(H,12,13)
InChI Key:
WHOOVGTWUYASMU-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1(CC(C1)(F)F)C(=O)[O-])C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.188g/mol
Monoisotopic Mass:
222.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.