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79893-75-7 | Benzenecarboximidic acid, N-(1-methylethyl)-, methyl ester
CAS No: 79893-75-7 Catalog No: AG005FA3 MDL No:
Product Description
Catalog Number:
AG005FA3
Chemical Name:
Benzenecarboximidic acid, N-(1-methylethyl)-, methyl ester
CAS Number:
79893-75-7
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
methyl N-propan-2-ylbenzenecarboximidate
InChI:
InChI=1S/C11H15NO/c1-9(2)12-11(13-3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChI Key:
ZICUCCWXDHATEW-UHFFFAOYSA-N
SMILES:
COC(=NC(C)C)c1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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