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137375-81-6 | Acetic acid, 2-[(1-methylethyl)sulfinyl]-
CAS No: 137375-81-6 Catalog No: AG00137C MDL No:
Product Description
Catalog Number:
AG00137C
Chemical Name:
Acetic acid, 2-[(1-methylethyl)sulfinyl]-
CAS Number:
137375-81-6
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
IUPAC Name:
2-propan-2-ylsulfinylacetic acid
InChI:
InChI=1S/C5H10O3S/c1-4(2)9(8)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
PUQXMHMJYYAKOM-UHFFFAOYSA-N
SMILES:
CC(S(=O)CC(=O)O)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.192g/mol
Monoisotopic Mass:
150.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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