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122744-78-9 | Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5-dimethoxy-
CAS No: 122744-78-9 Catalog No: AG000J9F MDL No:MFCD02682186
Product Description
Catalog Number:
AG000J9F
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5-dimethoxy-
CAS Number:
122744-78-9
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
MDL Number:
MFCD02682186
IUPAC Name:
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C14H19NO6/c1-14(2,3)21-13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)
InChI Key:
ZXNOFBMUVBIGOE-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OC)NC(=O)OC(C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.307g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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