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19900-47-1 | 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 2-propen-1-yl ester
CAS No: 19900-47-1 Catalog No: AG002BVI MDL No:
Product Description
Catalog Number:
AG002BVI
Chemical Name:
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 2-propen-1-yl ester
CAS Number:
19900-47-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
prop-2-enyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C10H14O3/c1-2-5-12-10(11)7-3-4-8-9(6-7)13-8/h2,7-9H,1,3-6H2
InChI Key:
WRGWYAZIVRHPFP-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C1CCC2C(C1)O2
NSC Number:
36609
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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