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88050-90-2 | 2(3H)-Furanone, 3-bromodihydro-5-methoxy-4-(1-pyrrolidinyl)-
CAS No: 88050-90-2 Catalog No: AG004FOO MDL No:
Product Description
Catalog Number:
AG004FOO
Chemical Name:
2(3H)-Furanone, 3-bromodihydro-5-methoxy-4-(1-pyrrolidinyl)-
CAS Number:
88050-90-2
Molecular Formula:
C9H14BrNO3
Molecular Weight:
264.1164
IUPAC Name:
3-bromo-5-methoxy-4-pyrrolidin-1-yloxolan-2-one
InChI:
InChI=1S/C9H14BrNO3/c1-13-9-7(6(10)8(12)14-9)11-4-2-3-5-11/h6-7,9H,2-5H2,1H3
InChI Key:
VEWZCYLCGJKXKG-UHFFFAOYSA-N
SMILES:
COC1OC(=O)C(C1N1CCCC1)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.119g/mol
Monoisotopic Mass:
263.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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