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378-75-6 | Methyl pentafluoropropionate
CAS No: 378-75-6 Catalog No: AG00358Z MDL No:MFCD00000430
Product Description
Catalog Number:
AG00358Z
Chemical Name:
Methyl pentafluoropropionate
CAS Number:
378-75-6
Molecular Formula:
C4H3F5O2
Molecular Weight:
178.0574
MDL Number:
MFCD00000430
IUPAC Name:
methyl 2,2,3,3,3-pentafluoropropanoate
InChI:
InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
InChI Key:
JMKJCPUVEMZGEC-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(F)F
EC Number:
206-828-0
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.058g/mol
Monoisotopic Mass:
178.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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