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174713-15-6 | Bicyclo[4.2.0]oct-7-ene-7-carboxylic acid, methyl ester, cis- (9CI)
CAS No: 174713-15-6 Catalog No: AG001ZVU MDL No:
Product Description
Catalog Number:
AG001ZVU
Chemical Name:
Bicyclo[4.2.0]oct-7-ene-7-carboxylic acid, methyl ester, cis- (9CI)
CAS Number:
174713-15-6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
methyl (1R,6R)-bicyclo[4.2.0]oct-7-ene-7-carboxylate
InChI:
InChI=1S/C10H14O2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChI Key:
HKGAYJXWYGUIRD-HTQZYQBOSA-N
SMILES:
COC(=O)C1=C[C@@H]2[C@H]1CCCC2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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