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84161-76-2 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-methyl-, ethyl ester
CAS No: 84161-76-2 Catalog No: AG004P4D MDL No:
Product Description
Catalog Number:
AG004P4D
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-methyl-, ethyl ester
CAS Number:
84161-76-2
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C11H16O2/c1-3-13-10(12)11(2)7-8-4-5-9(11)6-8/h4-5,8-9H,3,6-7H2,1-2H3
InChI Key:
GNGHYFMQCBTLSA-UHFFFAOYSA-N
SMILES:
CC1(CC2CC1C=C2)C(=O)OCC
Properties
Complexity:
257
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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