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88357-13-5 | Propanoic acid, 3-[[4-[2-(hydroxyimino)propyl]phenyl]thio]-, methyl ester
CAS No: 88357-13-5 Catalog No: AG0045ON MDL No:
Product Description
Catalog Number:
AG0045ON
Chemical Name:
Propanoic acid, 3-[[4-[2-(hydroxyimino)propyl]phenyl]thio]-, methyl ester
CAS Number:
88357-13-5
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
methyl 3-[4-(2-hydroxyiminopropyl)phenyl]sulfanylpropanoate
InChI:
InChI=1S/C13H17NO3S/c1-10(14-16)9-11-3-5-12(6-4-11)18-8-7-13(15)17-2/h3-6,16H,7-9H2,1-2H3
InChI Key:
XNECXTWNNBOQSH-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1ccc(cc1)CC(=NO)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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