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142014-10-6 | 2(3H)-Furanone, 3-(2,5-dimethyl-1H-pyrrol-1-yl)dihydro-
CAS No: 142014-10-6 Catalog No: AG001HKJ MDL No:
Product Description
Catalog Number:
AG001HKJ
Chemical Name:
2(3H)-Furanone, 3-(2,5-dimethyl-1H-pyrrol-1-yl)dihydro-
CAS Number:
142014-10-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)oxolan-2-one
InChI:
InChI=1S/C10H13NO2/c1-7-3-4-8(2)11(7)9-5-6-13-10(9)12/h3-4,9H,5-6H2,1-2H3
InChI Key:
GIYYASRIHYOAJY-UHFFFAOYSA-N
SMILES:
O=C1OCCC1n1c(C)ccc1C
NSC Number:
624245
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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