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88194-09-6 | 1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]-
CAS No: 88194-09-6 Catalog No: AG004C5Q MDL No:
Product Description
Catalog Number:
AG004C5Q
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]-
CAS Number:
88194-09-6
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
5-(but-3-en-2-ylamino)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C12H13NO4/c1-3-7(2)13-10-5-8(11(14)15)4-9(6-10)12(16)17/h3-7,13H,1H2,2H3,(H,14,15)(H,16,17)
InChI Key:
IPMPAIMYMUSZGK-UHFFFAOYSA-N
SMILES:
C=CC(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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