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139224-25-2

139224-25-2 | 2-Propenoic acid, 3-[(4-hydroxyphenyl)thio]-, methyl ester, (Z)- (9CI)

CAS No: 139224-25-2 Catalog No: AG001AIV MDL No:

Product Description

Catalog Number:
AG001AIV
Chemical Name:
2-Propenoic acid, 3-[(4-hydroxyphenyl)thio]-, methyl ester, (Z)- (9CI)
CAS Number:
139224-25-2
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
methyl 3-(4-hydroxyphenyl)sulfanylprop-2-enoate
InChI:
InChI=1S/C10H10O3S/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-7,11H,1H3
InChI Key:
ITIVJDZSBXAYQU-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\Sc1ccc(cc1)O

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  

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