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1379334-58-3 | 4H-Thieno[3,2-d][1,3]oxazine-2-carboxylic acid, 4-oxo-, methyl ester
CAS No: 1379334-58-3 Catalog No: AG00144Z MDL No:MFCD12964060
Product Description
Catalog Number:
AG00144Z
Chemical Name:
4H-Thieno[3,2-d][1,3]oxazine-2-carboxylic acid, 4-oxo-, methyl ester
CAS Number:
1379334-58-3
Molecular Formula:
C8H5NO4S
Molecular Weight:
211.1946
MDL Number:
MFCD12964060
IUPAC Name:
methyl 4-oxothieno[3,2-d][1,3]oxazine-2-carboxylate
InChI:
InChI=1S/C8H5NO4S/c1-12-8(11)6-9-4-2-3-14-5(4)7(10)13-6/h2-3H,1H3
InChI Key:
NYPXGWLIBANUIY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2ccsc2c(=O)o1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.191g/mol
Monoisotopic Mass:
210.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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