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Home > Nitro Compounds > 90178-81-7
90178-81-7 | 3-(HydroxyMethyl)-4-nitro-benzonitrile
CAS No: 90178-81-7 Catalog No: AG00GXX0 MDL No:
Product Description
Catalog Number:
AG00GXX0
Chemical Name:
3-(HydroxyMethyl)-4-nitro-benzonitrile
CAS Number:
90178-81-7
IUPAC Name:
3-(hydroxymethyl)-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c9-4-6-1-2-8(10(12)13)7(3-6)5-11/h1-3,11H,5H2
InChI Key:
XFXXYSBFWJJUNQ-UHFFFAOYSA-N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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