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139204-86-7 | Benzenesulfinic acid, methyl-, compd. with N,N-diethylethanamine (1:1) (9CI)
CAS No: 139204-86-7 Catalog No: AG001AH3 MDL No:
Product Description
Catalog Number:
AG001AH3
Chemical Name:
Benzenesulfinic acid, methyl-, compd. with N,N-diethylethanamine (1:1) (9CI)
CAS Number:
139204-86-7
IUPAC Name:
N,N-diethylethanamine;2-methylbenzenesulfinic acid
InChI:
InChI=1S/C7H8O2S.C6H15N/c1-6-4-2-3-5-7(6)10(8)9;1-4-7(5-2)6-3/h2-5H,1H3,(H,8,9);4-6H2,1-3H3
InChI Key:
KNBXWFBVRYSOHA-UHFFFAOYSA-N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.392g/mol
Monoisotopic Mass:
257.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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