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24827-58-5 | Carbonic acid, methyl 5-methyl-3-isoxazolyl ester (8CI)
CAS No: 24827-58-5 Catalog No: AG002PKR MDL No:MFCD28957908
Product Description
Catalog Number:
AG002PKR
Chemical Name:
Carbonic acid, methyl 5-methyl-3-isoxazolyl ester (8CI)
CAS Number:
24827-58-5
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
MDL Number:
MFCD28957908
IUPAC Name:
methyl (5-methyl-1,2-oxazol-3-yl) carbonate
InChI:
InChI=1S/C6H7NO4/c1-4-3-5(7-11-4)10-6(8)9-2/h3H,1-2H3
InChI Key:
BJEPVXPCSIZQDU-UHFFFAOYSA-N
SMILES:
COC(=O)Oc1noc(c1)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.125g/mol
Monoisotopic Mass:
157.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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