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Home > Nitro Compounds > 61126-42-9
61126-42-9 | 1-(4-Hydroxyphenyl)-2-nitropropene
CAS No: 61126-42-9 Catalog No: AG01EADE MDL No:
Product Description
Catalog Number:
AG01EADE
Chemical Name:
1-(4-Hydroxyphenyl)-2-nitropropene
CAS Number:
61126-42-9
IUPAC Name:
4-[(E)-2-nitroprop-1-enyl]phenol
InChI:
InChI=1S/C9H9NO3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6,11H,1H3/b7-6+
InChI Key:
PWVYGCHRAHNBFI-VOTSOKGWSA-N
NSC Number:
143413
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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