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74407-70-8 | Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI)
CAS No: 74407-70-8 Catalog No: AG005BOA MDL No:
Product Description
Catalog Number:
AG005BOA
Chemical Name:
Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI)
CAS Number:
74407-70-8
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
IUPAC Name:
(2R)-3-benzoylsulfanyl-2-methylpropanoic acid
InChI:
InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m0/s1
InChI Key:
BCAYPPFBOJCRPN-QMMMGPOBSA-N
SMILES:
C[C@H](C(=O)O)CSC(=O)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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