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74889-21-7 | Carbamic acid, (5-methyl-3-isoxazolyl)-, phenyl ester
CAS No: 74889-21-7 Catalog No: AG008OPO MDL No:MFCD01921687
Product Description
Catalog Number:
AG008OPO
Chemical Name:
Carbamic acid, (5-methyl-3-isoxazolyl)-, phenyl ester
CAS Number:
74889-21-7
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD01921687
IUPAC Name:
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
InChI:
InChI=1S/C11H10N2O3/c1-8-7-10(13-16-8)12-11(14)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
InChI Key:
AOXNEYUOJSRBSQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1noc(c1)C)Oc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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