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113904-76-0

113904-76-0 | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, hydrazide

CAS No: 113904-76-0 Catalog No: AG000A1N MDL No:MFCD03964542

Product Description

Catalog Number:
AG000A1N
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, hydrazide
CAS Number:
113904-76-0
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
MDL Number:
MFCD03964542
IUPAC Name:
2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
InChI:
InChI=1S/C10H18N2O/c1-6(2)5-7-8(9(13)12-11)10(7,3)4/h5,7-8H,11H2,1-4H3,(H,12,13)
InChI Key:
ONNOJEVCFHFAQR-UHFFFAOYSA-N
SMILES:
NNC(=O)C1C(C1(C)C)C=C(C)C

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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