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Home > Aldehydes > 871543-59-8
871543-59-8 | 3-(TRIFLUOROMETHYL)CINNAMALDEHYDE
CAS No: 871543-59-8 Catalog No: AG004OBK MDL No:MFCD09260891
Product Description
Catalog Number:
AG004OBK
Chemical Name:
3-(TRIFLUOROMETHYL)CINNAMALDEHYDE
CAS Number:
871543-59-8
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
MDL Number:
MFCD09260891
IUPAC Name:
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal
InChI:
InChI=1S/C10H7F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-7H/b4-2+
InChI Key:
JMKMLIWUWJNVIG-DUXPYHPUSA-N
SMILES:
O=CC=Cc1cccc(c1)C(F)(F)F
EC Number:
617-975-9
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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