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57053-02-8 | dimethyl 2-aminoisophthalate
CAS No: 57053-02-8 Catalog No: AG0038N0 MDL No:MFCD18431747
Product Description
Catalog Number:
AG0038N0
Chemical Name:
dimethyl 2-aminoisophthalate
CAS Number:
57053-02-8
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD18431747
IUPAC Name:
dimethyl 2-aminobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,11H2,1-2H3
InChI Key:
QVBQPOJYBWWILD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1N)C(=O)OC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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