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Home > Other Heterocycles > 681260-64-0
681260-64-0 | 2-phenyl-1-oxaspiro[2.4]heptane
CAS No: 681260-64-0 Catalog No: AG00JWBC MDL No:MFCD11226353
Product Description
Catalog Number:
AG00JWBC
Chemical Name:
2-phenyl-1-oxaspiro[2.4]heptane
CAS Number:
681260-64-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD11226353
IUPAC Name:
2-phenyl-1-oxaspiro[2.4]heptane
InChI:
InChI=1S/C12H14O/c1-2-6-10(7-3-1)11-12(13-11)8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
FJYULKQWDAMXEX-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)OC2c1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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