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19747-79-6 | 1H-Indole-3-carboximidic acid, ethyl ester
CAS No: 19747-79-6 Catalog No: AG002ATR MDL No:MFCD01833316
Product Description
Catalog Number:
AG002ATR
Chemical Name:
1H-Indole-3-carboximidic acid, ethyl ester
CAS Number:
19747-79-6
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD01833316
IUPAC Name:
ethyl 1H-indole-3-carboximidate
InChI:
InChI=1S/C11H12N2O/c1-2-14-11(12)9-7-13-10-6-4-3-5-8(9)10/h3-7,12-13H,2H2,1H3
InChI Key:
QDVAJJFYMRBEIP-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1c[nH]c2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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