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Home > Nitro Compounds > 14438-63-2
14438-63-2 | 1-(2,5-dimethoxyphenyl)-2-nitroethan-1-ol
CAS No: 14438-63-2 Catalog No: AG01BCSF MDL No:MFCD03840539
Product Description
Catalog Number:
AG01BCSF
Chemical Name:
1-(2,5-dimethoxyphenyl)-2-nitroethan-1-ol
CAS Number:
14438-63-2
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
MDL Number:
MFCD03840539
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2-nitroethanol
InChI:
InChI=1S/C10H13NO5/c1-15-7-3-4-10(16-2)8(5-7)9(12)6-11(13)14/h3-5,9,12H,6H2,1-2H3
InChI Key:
QRPRIJUIJFISJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1cc(OC)ccc1OC)O
Properties
Complexity:
230
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:
1
Isotope Atom Count:
0
Molecular Weight:
227.216g/mol
Monoisotopic Mass:
227.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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