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Home > Nitro Compounds > 89807-54-5
89807-54-5 | (2E)-1-(4-nitrophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
CAS No: 89807-54-5 Catalog No: AG00JU1S MDL No:MFCD00024747
Product Description
Catalog Number:
AG00JU1S
Chemical Name:
(2E)-1-(4-nitrophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
CAS Number:
89807-54-5
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
MDL Number:
MFCD00024747
IUPAC Name:
(E)-1-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO3/c1-13(2)15-6-3-14(4-7-15)5-12-18(20)16-8-10-17(11-9-16)19(21)22/h3-13H,1-2H3/b12-5+
InChI Key:
BHCACZQHYFKUEH-LFYBBSHMSA-N
SMILES:
CC(c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-])C
NSC Number:
201635
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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