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119257-36-2 | 1H-Indol-1-amine, N-4-pyridinyl-, (2Z)-2-butenedioate (1:1)
CAS No: 119257-36-2 Catalog No: AG000IGM MDL No:
Product Description
Catalog Number:
AG000IGM
Chemical Name:
1H-Indol-1-amine, N-4-pyridinyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
119257-36-2
Molecular Formula:
C17H15N3O4
Molecular Weight:
325.3187
IUPAC Name:
(Z)-but-2-enedioic acid;N-pyridin-4-ylindol-1-amine
InChI:
InChI=1S/C13H11N3.C4H4O4/c1-2-4-13-11(3-1)7-10-16(13)15-12-5-8-14-9-6-12;5-3(6)1-2-4(7)8/h1-10H,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
SGEGAKQXNTUUEZ-BTJKTKAUSA-N
SMILES:
n1ccc(cc1)Nn1ccc2c1cccc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
325.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.324g/mol
Monoisotopic Mass:
325.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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