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1087784-50-6 | N-(1,3-dioxaindan-5-ylmethyl)-1H-imidazole-1-carboxamide
CAS No: 1087784-50-6 Catalog No: AG019MYU MDL No:MFCD11099598
Product Description
Catalog Number:
AG019MYU
Chemical Name:
N-(1,3-dioxaindan-5-ylmethyl)-1H-imidazole-1-carboxamide
CAS Number:
1087784-50-6
MDL Number:
MFCD11099598
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)imidazole-1-carboxamide
InChI:
InChI=1S/C12H11N3O3/c16-12(15-4-3-13-7-15)14-6-9-1-2-10-11(5-9)18-8-17-10/h1-5,7H,6,8H2,(H,14,16)
InChI Key:
KQORQUITXFEHPZ-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NCc1ccc2c(c1)OCO2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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