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Home > Other Heterocycles > 1851263-80-3
1851263-80-3 | methyl 3-{7-oxabicyclo[2.2.1]heptan-2-yl}prop-2-ynoate
CAS No: 1851263-80-3 Catalog No: AG01DRG0 MDL No:MFCD31463663
Product Description
Catalog Number:
AG01DRG0
Chemical Name:
methyl 3-{7-oxabicyclo[2.2.1]heptan-2-yl}prop-2-ynoate
CAS Number:
1851263-80-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD31463663
IUPAC Name:
methyl 3-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-ynoate
InChI:
InChI=1S/C10H12O3/c1-12-10(11)5-2-7-6-8-3-4-9(7)13-8/h7-9H,3-4,6H2,1H3
InChI Key:
SNJNEUHQLIWUBJ-UHFFFAOYSA-N
SMILES:
COC(=O)C#CC1CC2OC1CC2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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