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200123-07-5 | (2E)-1-(3-nitrophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
CAS No: 200123-07-5 Catalog No: AG00JU4H MDL No:MFCD00089082
Product Description
Catalog Number:
AG00JU4H
Chemical Name:
(2E)-1-(3-nitrophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
CAS Number:
200123-07-5
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
MDL Number:
MFCD00089082
IUPAC Name:
(E)-1-(3-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO3/c1-13(2)15-9-6-14(7-10-15)8-11-18(20)16-4-3-5-17(12-16)19(21)22/h3-13H,1-2H3/b11-8+
InChI Key:
RHCZGQPKVIERAD-DHZHZOJOSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)C(C)C
Properties
Complexity:
417
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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