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Home > Nitro Compounds > 33844-21-2
33844-21-2 | Benzoic acid, 4-methoxy-2-nitro-
CAS No: 33844-21-2 Catalog No: AG00I6O9 MDL No:MFCD04972109
Product Description
Catalog Number:
AG00I6O9
Chemical Name:
Benzoic acid, 4-methoxy-2-nitro-
CAS Number:
33844-21-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD04972109
IUPAC Name:
4-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
DVZBWONCSHFMMM-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])C(=O)O
NSC Number:
149936
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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