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100038-62-8 | 2-Butenoic acid, 4-(phenylseleno)-, methyl ester, (E)- (9CI)
CAS No: 100038-62-8 Catalog No: AG0000MX MDL No:
Product Description
Catalog Number:
AG0000MX
Chemical Name:
2-Butenoic acid, 4-(phenylseleno)-, methyl ester, (E)- (9CI)
CAS Number:
100038-62-8
Molecular Formula:
C11H12O2Se
Molecular Weight:
255.1718
IUPAC Name:
methyl 4-phenylselanylbut-2-enoate
InChI:
InChI=1S/C11H12O2Se/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-8H,9H2,1H3
InChI Key:
ULYCSXFBHPWRMS-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C[Se]c1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
256g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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