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Home > Nitro Compounds > 887407-13-8
887407-13-8 | 4-(3-NITROPHENYL)BUT-3-ENOIC ACID
CAS No: 887407-13-8 Catalog No: AG00GY1A MDL No:
Product Description
Catalog Number:
AG00GY1A
Chemical Name:
4-(3-NITROPHENYL)BUT-3-ENOIC ACID
CAS Number:
887407-13-8
IUPAC Name:
(E)-4-(3-nitrophenyl)but-3-enoic acid
InChI:
InChI=1S/C10H9NO4/c12-10(13)6-2-4-8-3-1-5-9(7-8)11(14)15/h1-5,7H,6H2,(H,12,13)/b4-2+
InChI Key:
ODORNFZJPJSKAP-DUXPYHPUSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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