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113875-10-8 | Hydrazinecarboxylic acid, 2-[1-(1H-pyrrol-2-yl)ethylidene]-, ethyl ester
CAS No: 113875-10-8 Catalog No: AG0009YX MDL No:
Product Description
Catalog Number:
AG0009YX
Chemical Name:
Hydrazinecarboxylic acid, 2-[1-(1H-pyrrol-2-yl)ethylidene]-, ethyl ester
CAS Number:
113875-10-8
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
ethyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamate
InChI:
InChI=1S/C9H13N3O2/c1-3-14-9(13)12-11-7(2)8-5-4-6-10-8/h4-6,10H,3H2,1-2H3,(H,12,13)
InChI Key:
MQSARMLHZIVUEZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)NN=C(c1ccc[nH]1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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