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Home > Nitro Compounds > 1465134-53-5
1465134-53-5 | (2E)-1-(3-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CAS No: 1465134-53-5 Catalog No: AG00JU4N MDL No:MFCD21335096
Product Description
Catalog Number:
AG00JU4N
Chemical Name:
(2E)-1-(3-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
1465134-53-5
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
MDL Number:
MFCD21335096
IUPAC Name:
(E)-1-(3-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO6/c1-23-16-10-8-12(17(24-2)18(16)25-3)7-9-15(20)13-5-4-6-14(11-13)19(21)22/h4-11H,1-3H3/b9-7+
InChI Key:
HQCYHBWCFQZVEC-VQHVLOKHSA-N
SMILES:
COc1c(/C=C/C(=O)c2cccc(c2)[N+](=O)[O-])ccc(c1OC)OC
Properties
Complexity:
488
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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