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Home > Nitro Compounds > 98197-88-7
98197-88-7 | (4-Nitropyridin-2-yl);methanol
CAS No: 98197-88-7 Catalog No: AG003F2I MDL No:MFCD07774099
Product Description
Catalog Number:
AG003F2I
Chemical Name:
(4-Nitropyridin-2-yl);methanol
CAS Number:
98197-88-7
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD07774099
IUPAC Name:
(4-nitropyridin-2-yl)methanol
InChI:
InChI=1S/C6H6N2O3/c9-4-5-3-6(8(10)11)1-2-7-5/h1-3,9H,4H2
InChI Key:
HFSUHEWRFBAVHH-UHFFFAOYSA-N
SMILES:
OCc1nccc(c1)[N+](=O)[O-]
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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