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Home > Nitro Compounds > 1312609-82-7
1312609-82-7 | 3-hydroxy-2-methoxy-4-nitrobenzoic acid
CAS No: 1312609-82-7 Catalog No: AG01BDUA MDL No:MFCD20486192
Product Description
Catalog Number:
AG01BDUA
Chemical Name:
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CAS Number:
1312609-82-7
Molecular Formula:
C8H7NO6
Molecular Weight:
213.1443
MDL Number:
MFCD20486192
IUPAC Name:
3-hydroxy-2-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6/c1-15-7-4(8(11)12)2-3-5(6(7)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChI Key:
BAHBSTAHSQFSPF-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1O)[N+](=O)[O-])C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.145g/mol
Monoisotopic Mass:
213.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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