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90390-46-8 | (3-Amino-5-nitrophenyl)methanol
CAS No: 90390-46-8 Catalog No: AG0036V2 MDL No:MFCD08236778
Product Description
Catalog Number:
AG0036V2
Chemical Name:
(3-Amino-5-nitrophenyl)methanol
CAS Number:
90390-46-8
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD08236778
IUPAC Name:
(3-amino-5-nitrophenyl)methanol
InChI:
InChI=1S/C7H8N2O3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4,8H2
InChI Key:
QOQKOVFSUNXURX-UHFFFAOYSA-N
SMILES:
OCc1cc(N)cc(c1)[N+](=O)[O-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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