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19420-40-7 | 3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propyl carbamate
CAS No: 19420-40-7 Catalog No: AG007RQ4 MDL No:
Product Description
Catalog Number:
AG007RQ4
Chemical Name:
3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propyl carbamate
CAS Number:
19420-40-7
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
3-(2-oxo-1,3-benzoxazol-3-yl)propyl carbamate
InChI:
InChI=1S/C11H12N2O4/c12-10(14)16-7-3-6-13-8-4-1-2-5-9(8)17-11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,14)
InChI Key:
VODSBZGECUUVAS-UHFFFAOYSA-N
SMILES:
NC(=O)OCCCn1c(=O)oc2c1cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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