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124668-81-1 | 2-Heptenoic acid, 7-[(methylsulfonyl)oxy]-, ethyl ester, (E)- (9CI)
CAS No: 124668-81-1 Catalog No: AG000MKV MDL No:
Product Description
Catalog Number:
AG000MKV
Chemical Name:
2-Heptenoic acid, 7-[(methylsulfonyl)oxy]-, ethyl ester, (E)- (9CI)
CAS Number:
124668-81-1
Molecular Formula:
C10H18O5S
Molecular Weight:
250.3119
IUPAC Name:
ethyl 7-methylsulfonyloxyhept-2-enoate
InChI:
InChI=1S/C10H18O5S/c1-3-14-10(11)8-6-4-5-7-9-15-16(2,12)13/h6,8H,3-5,7,9H2,1-2H3
InChI Key:
IXNLTRMWXPPGOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CCCCOS(=O)(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.309g/mol
Monoisotopic Mass:
250.087g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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