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Home > Nitro Compounds > 83089-27-4
83089-27-4 | 1,3-Propanediol, 2-(4-methoxy-2-nitrophenyl)-
CAS No: 83089-27-4 Catalog No: AG00522A MDL No:
Product Description
Catalog Number:
AG00522A
Chemical Name:
1,3-Propanediol, 2-(4-methoxy-2-nitrophenyl)-
CAS Number:
83089-27-4
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
IUPAC Name:
2-(4-methoxy-2-nitrophenyl)propane-1,3-diol
InChI:
InChI=1S/C10H13NO5/c1-16-8-2-3-9(7(5-12)6-13)10(4-8)11(14)15/h2-4,7,12-13H,5-6H2,1H3
InChI Key:
LWKBKPISCXPXGN-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1[N+](=O)[O-])OC)CO
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.216g/mol
Monoisotopic Mass:
227.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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