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Home > Nitro Compounds > 861593-27-3
861593-27-3 | 3-(Methoxycarbonyl)-2-nitrobenzoic acid
CAS No: 861593-27-3 Catalog No: AG003HSQ MDL No:MFCD08690069
Product Description
Catalog Number:
AG003HSQ
Chemical Name:
3-(Methoxycarbonyl)-2-nitrobenzoic acid
CAS Number:
861593-27-3
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD08690069
IUPAC Name:
3-methoxycarbonyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)6-4-2-3-5(8(11)12)7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
NUULGBPUCNUUQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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