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15641-27-7 | Hydrazinecarboxylic acid, 2-(1H-indol-3-ylmethylene)-, ethyl ester
CAS No: 15641-27-7 Catalog No: AG001OPQ MDL No:
Product Description
Catalog Number:
AG001OPQ
Chemical Name:
Hydrazinecarboxylic acid, 2-(1H-indol-3-ylmethylene)-, ethyl ester
CAS Number:
15641-27-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
ethyl N-[(E)-1H-indol-3-ylmethylideneamino]carbamate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)15-14-8-9-7-13-11-6-4-3-5-10(9)11/h3-8,13H,2H2,1H3,(H,15,16)/b14-8+
InChI Key:
VBGDKFQXGPPXFG-RIYZIHGNSA-N
SMILES:
CCOC(=O)NN=Cc1c[nH]c2c1cccc2
NSC Number:
123213
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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