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918307-40-1

918307-40-1 | 2-Propenoic acid, 3-(2-furanyl)-2-(trifluoromethyl)-, methyl ester, (2E)-

CAS No: 918307-40-1 Catalog No: AG006GG7 MDL No:

Product Description

Catalog Number:
AG006GG7
Chemical Name:
2-Propenoic acid, 3-(2-furanyl)-2-(trifluoromethyl)-, methyl ester, (2E)-
CAS Number:
918307-40-1
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
IUPAC Name:
methyl 3-(furan-2-yl)-2-(trifluoromethyl)prop-2-enoate
InChI:
InChI=1S/C9H7F3O3/c1-14-8(13)7(9(10,11)12)5-6-3-2-4-15-6/h2-5H,1H3
InChI Key:
APHUTAJEEMXUSO-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\c1ccco1)/C(F)(F)F

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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