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81842-27-5 | 2-Cyclohexen-1-one, 4-[(tetrahydro-2-furanyl)methyl]-
CAS No: 81842-27-5 Catalog No: AG005HTP MDL No:
Product Description
Catalog Number:
AG005HTP
Chemical Name:
2-Cyclohexen-1-one, 4-[(tetrahydro-2-furanyl)methyl]-
CAS Number:
81842-27-5
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3,5,9,11H,1-2,4,6-8H2
InChI Key:
DVZNFILJZIOYPQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(C=C1)CC1CCCO1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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