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Home > Nitro Compounds > 64152-09-6
64152-09-6 | 3-(Methoxycarbonyl);-4-nitrobenzoic acid
CAS No: 64152-09-6 Catalog No: AG003I8J MDL No:MFCD09026978
Product Description
Catalog Number:
AG003I8J
Chemical Name:
3-(Methoxycarbonyl);-4-nitrobenzoic acid
CAS Number:
64152-09-6
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD09026978
IUPAC Name:
3-methoxycarbonyl-4-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
KRACQAXEQJJYLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1[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:
1.2
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