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Home > Other Heterocycles > 94022-61-4
94022-61-4 | 1-BICYCLO[2.2.1]HEPT-2-YLETHYL BUTYRATE
CAS No: 94022-61-4 Catalog No: AG00695Y MDL No:
Product Description
Catalog Number:
AG00695Y
Chemical Name:
1-BICYCLO[2.2.1]HEPT-2-YLETHYL BUTYRATE
CAS Number:
94022-61-4
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)ethyl butanoate
InChI:
InChI=1S/C13H22O2/c1-3-4-13(14)15-9(2)12-8-10-5-6-11(12)7-10/h9-12H,3-8H2,1-2H3
InChI Key:
KYZBDSLEMDHLBR-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC(C1CC2CC1CC2)C
EC Number:
301-559-6
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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