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949204-52-8 | 3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CAS No: 949204-52-8 Catalog No: AG019KC7 MDL No:MFCD09802038
Product Description
Catalog Number:
AG019KC7
Chemical Name:
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CAS Number:
949204-52-8
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
MDL Number:
MFCD09802038
IUPAC Name:
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C12H13NO4S/c14-12(15)7-4-10-2-5-11(6-3-10)13-8-1-9-18(13,16)17/h2-7H,1,8-9H2,(H,14,15)
InChI Key:
BSJXBECDACDIBZ-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)N1CCCS1(=O)=O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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