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Home > Nitro Compounds > 773874-74-1
773874-74-1 | Benzoic acid, 4,5-dihydroxy-2-nitro-, methyl ester (9CI)
CAS No: 773874-74-1 Catalog No: AG00GC8L MDL No:
Product Description
Catalog Number:
AG00GC8L
Chemical Name:
Benzoic acid, 4,5-dihydroxy-2-nitro-, methyl ester (9CI)
CAS Number:
773874-74-1
IUPAC Name:
methyl 4,5-dihydroxy-2-nitrobenzoate
InChI:
InChI=1S/C8H7NO6/c1-15-8(12)4-2-6(10)7(11)3-5(4)9(13)14/h2-3,10-11H,1H3
InChI Key:
GTUCGXGPSWQWBN-UHFFFAOYSA-N
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:
0.9
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