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Home > Nitro Compounds > 89729-73-7
89729-73-7 | 1,3-Propanediol, 2-(2-methyl-4-nitrophenyl)-
CAS No: 89729-73-7 Catalog No: AG0041ZL MDL No:
Product Description
Catalog Number:
AG0041ZL
Chemical Name:
1,3-Propanediol, 2-(2-methyl-4-nitrophenyl)-
CAS Number:
89729-73-7
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-(2-methyl-4-nitrophenyl)propane-1,3-diol
InChI:
InChI=1S/C10H13NO4/c1-7-4-9(11(14)15)2-3-10(7)8(5-12)6-13/h2-4,8,12-13H,5-6H2,1H3
InChI Key:
HHGRETZRHZRXQQ-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1C)[N+](=O)[O-])CO
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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