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Home > Nitro Compounds > 1287224-23-0
1287224-23-0 | (2E)-1-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CAS No: 1287224-23-0 Catalog No: AG00JU1X MDL No:MFCD21335081
Product Description
Catalog Number:
AG00JU1X
Chemical Name:
(2E)-1-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
1287224-23-0
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
MDL Number:
MFCD21335081
IUPAC Name:
(E)-1-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO6/c1-23-16-11-7-13(17(24-2)18(16)25-3)6-10-15(20)12-4-8-14(9-5-12)19(21)22/h4-11H,1-3H3/b10-6+
InChI Key:
WTYNQRIWIFHIHZ-UXBLZVDNSA-N
SMILES:
COc1ccc(c(c1OC)OC)/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
343.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.335g/mol
Monoisotopic Mass:
343.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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