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Home > Thiazole > 1937211-73-8
1937211-73-8 | (2E)-3-(3-methoxy-1,2-thiazol-5-yl)prop-2-enoic acid
CAS No: 1937211-73-8 Catalog No: AG01EM9M MDL No:
Product Description
Catalog Number:
AG01EM9M
Chemical Name:
(2E)-3-(3-methoxy-1,2-thiazol-5-yl)prop-2-enoic acid
CAS Number:
1937211-73-8
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
IUPAC Name:
(E)-3-(3-methoxy-1,2-thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO3S/c1-11-6-4-5(12-8-6)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChI Key:
FBXJZFWIOYXJNC-NSCUHMNNSA-N
SMILES:
COc1cc(sn1)/C=C/C(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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