Home Carboxys methyl 1-(prop-2-yn-1-yl)cyclohexane-1-carboxylate

methyl 1-(prop-2-yn-1-yl)cyclohexane-1-carboxylate

CAS No.:
678988-77-7
Catalog Number:
AG01B1OR
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
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Product Description
Catalog Number:
AG01B1OR
Chemical Name:
methyl 1-(prop-2-yn-1-yl)cyclohexane-1-carboxylate
CAS Number:
678988-77-7
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD27980951
IUPAC Name:
methyl 1-prop-2-ynylcyclohexane-1-carboxylate
InChI:
InChI=1S/C11H16O2/c1-3-7-11(10(12)13-2)8-5-4-6-9-11/h1H,4-9H2,2H3
InChI Key:
QOIMZQLVUPQSDT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCCC1)CC#C
Properties
Complexity:
228  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties