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887352-28-5 | 1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-methanesulfonylmethanol
CAS No: 887352-28-5 Catalog No: AG00447T MDL No:
Product Description
Catalog Number:
AG00447T
Chemical Name:
1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-methanesulfonylmethanol
CAS Number:
887352-28-5
Molecular Formula:
C12H21NO4S
Molecular Weight:
275.3644
IUPAC Name:
(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate
InChI:
InChI=1S/C12H21NO4S/c1-9(14)13-11(2,3)7-10(12(13,4)5)8-17-18(6,15)16/h7H,8H2,1-6H3
InChI Key:
HKGUPHQKSUFHMO-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(C)(C)C=C(C1(C)C)COS(=O)(=O)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.363g/mol
Monoisotopic Mass:
275.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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