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Home > Nitro Compounds > 1096877-81-4
1096877-81-4 | 5-methoxy-2-nitro-4-(oxolan-2-ylmethoxy)benzoic acid
CAS No: 1096877-81-4 Catalog No: AG019XDA MDL No:MFCD13196117
Product Description
Catalog Number:
AG019XDA
Chemical Name:
5-methoxy-2-nitro-4-(oxolan-2-ylmethoxy)benzoic acid
CAS Number:
1096877-81-4
Molecular Formula:
C13H15NO7
Molecular Weight:
297.2607
MDL Number:
MFCD13196117
IUPAC Name:
5-methoxy-2-nitro-4-(oxolan-2-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H15NO7/c1-19-11-5-9(13(15)16)10(14(17)18)6-12(11)21-7-8-3-2-4-20-8/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChI Key:
BZJQHIABMUYYRN-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OCC1CCCO1)[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.263g/mol
Monoisotopic Mass:
297.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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