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691887-94-2 | (2Z)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid
CAS No: 691887-94-2 Catalog No: AG00IY9U MDL No:MFCD03012717
Product Description
Catalog Number:
AG00IY9U
Chemical Name:
(2Z)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid
CAS Number:
691887-94-2
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD03012717
IUPAC Name:
3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C10H8N2O2S/c13-9(14)4-3-8-2-1-6-12(8)10-11-5-7-15-10/h1-7H,(H,13,14)
InChI Key:
YVMCXFFETMPDNB-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\c1cccn1c1nccs1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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