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116274-49-8 | Benzoic acid, 2-[(aminocarbonyl)amino]-3,4,5-trimethoxy-
CAS No: 116274-49-8 Catalog No: AG000C3A MDL No:
Product Description
Catalog Number:
AG000C3A
Chemical Name:
Benzoic acid, 2-[(aminocarbonyl)amino]-3,4,5-trimethoxy-
CAS Number:
116274-49-8
Molecular Formula:
C11H14N2O6
Molecular Weight:
270.2387
IUPAC Name:
2-(carbamoylamino)-3,4,5-trimethoxybenzoic acid
InChI:
InChI=1S/C11H14N2O6/c1-17-6-4-5(10(14)15)7(13-11(12)16)9(19-3)8(6)18-2/h4H,1-3H3,(H,14,15)(H3,12,13,16)
InChI Key:
IKDNMUUEVZUWFA-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC)cc(c1NC(=O)N)C(=O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.241g/mol
Monoisotopic Mass:
270.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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