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Home > Nitro Compounds > 90176-92-4
90176-92-4 | Phenol, 4-(2,2-dimethoxypropyl)-2-methoxy-6-nitro-
CAS No: 90176-92-4 Catalog No: AG00H64C MDL No:
Product Description
Catalog Number:
AG00H64C
Chemical Name:
Phenol, 4-(2,2-dimethoxypropyl)-2-methoxy-6-nitro-
CAS Number:
90176-92-4
Molecular Formula:
C12H17NO6
Molecular Weight:
271.2665
IUPAC Name:
4-(2,2-dimethoxypropyl)-2-methoxy-6-nitrophenol
InChI:
InChI=1S/C12H17NO6/c1-12(18-3,19-4)7-8-5-9(13(15)16)11(14)10(6-8)17-2/h5-6,14H,7H2,1-4H3
InChI Key:
KMJKXLTZLSTDAP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)[N+](=O)[O-])CC(OC)(OC)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.269g/mol
Monoisotopic Mass:
271.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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