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264260-18-6 | 3-Cyclohexene-1-carboxylic acid, 2-propyn-1-yl ester
CAS No: 264260-18-6 Catalog No: AG002T60 MDL No:
Product Description
Catalog Number:
AG002T60
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 2-propyn-1-yl ester
CAS Number:
264260-18-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
prop-2-ynyl cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-4,9H,5-8H2
InChI Key:
XVUXWYXCYRVQNB-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)C1CCC=CC1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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