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494769-44-7 | (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
CAS No: 494769-44-7 Catalog No: AG00D95O MDL No:MFCD08275703
Product Description
Catalog Number:
AG00D95O
Chemical Name:
(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
CAS Number:
494769-44-7
Molecular Formula:
C9H14N2O3S
Molecular Weight:
230.2841
MDL Number:
MFCD08275703
IUPAC Name:
tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate
InChI:
InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13)
InChI Key:
OWLBQQTUOQLZST-UHFFFAOYSA-N
SMILES:
OCc1csc(n1)NC(=O)OC(C)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.282g/mol
Monoisotopic Mass:
230.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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