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Home > Pyridines > 101516-96-5
101516-96-5 | Carbamic acid, 1,3-benzodioxol-5-yl-, 2-(2-pyridinyl)ethyl ester (9CI)
CAS No: 101516-96-5 Catalog No: AG0004OX MDL No:
Product Description
Catalog Number:
AG0004OX
Chemical Name:
Carbamic acid, 1,3-benzodioxol-5-yl-, 2-(2-pyridinyl)ethyl ester (9CI)
CAS Number:
101516-96-5
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-pyridin-2-ylethyl N-(1,3-benzodioxol-5-yl)carbamate
InChI:
InChI=1S/C15H14N2O4/c18-15(19-8-6-11-3-1-2-7-16-11)17-12-4-5-13-14(9-12)21-10-20-13/h1-5,7,9H,6,8,10H2,(H,17,18)
InChI Key:
OIVSQFSWQKKYCO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)OCO2)OCCc1ccccn1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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