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Home > Other Building Blocks > 89433-36-3
89433-36-3 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-hydroxybutoxy)-
CAS No: 89433-36-3 Catalog No: AG00443K MDL No:
Product Description
Catalog Number:
AG00443K
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-hydroxybutoxy)-
CAS Number:
89433-36-3
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
6-(4-hydroxybutoxy)-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C12H15NO4/c14-5-1-2-6-16-10-3-4-11-9(7-10)8-17-12(15)13-11/h3-4,7,14H,1-2,5-6,8H2,(H,13,15)
InChI Key:
RYCNDCRYJFFJKV-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccc2c(c1)COC(=O)N2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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