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651748-82-2 | Benzoic acid, 3-[3-(1,3-benzodioxol-5-yl)-2-oxo-1-imidazolidinyl]-
CAS No: 651748-82-2 Catalog No: AG00H7R0 MDL No:
Product Description
Catalog Number:
AG00H7R0
Chemical Name:
Benzoic acid, 3-[3-(1,3-benzodioxol-5-yl)-2-oxo-1-imidazolidinyl]-
CAS Number:
651748-82-2
Molecular Formula:
C17H14N2O5
Molecular Weight:
326.3035
IUPAC Name:
3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]benzoic acid
InChI:
InChI=1S/C17H14N2O5/c20-16(21)11-2-1-3-12(8-11)18-6-7-19(17(18)22)13-4-5-14-15(9-13)24-10-23-14/h1-5,8-9H,6-7,10H2,(H,20,21)
InChI Key:
WKBGFJJGXWZNIM-UHFFFAOYSA-N
SMILES:
O=C1N(CCN1c1ccc2c(c1)OCO2)c1cccc(c1)C(=O)O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.308g/mol
Monoisotopic Mass:
326.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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