Home Carboxys 1-[2-(acetyloxy)ethyl]-2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid

1-[2-(acetyloxy)ethyl]-2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:
1803601-27-5
Catalog Number:
AG01BHOF
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
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Product Description
Catalog Number:
AG01BHOF
Chemical Name:
1-[2-(acetyloxy)ethyl]-2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid
CAS Number:
1803601-27-5
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD28246276
IUPAC Name:
1-(2-acetyloxyethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C13H18N2O4/c1-8-14-11-7-10(13(17)18)3-4-12(11)15(8)5-6-19-9(2)16/h10H,3-7H2,1-2H3,(H,17,18)
InChI Key:
OKFKOZGRRZVTIR-UHFFFAOYSA-N
SMILES:
CC(=O)OCCn1c(C)nc2c1CCC(C2)C(=O)O
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties