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89519-00-6 | Oxirane, [[4-(cyclopropylmethoxy)phenyl]methyl]-
CAS No: 89519-00-6 Catalog No: AG0040VI MDL No:
Product Description
Catalog Number:
AG0040VI
Chemical Name:
Oxirane, [[4-(cyclopropylmethoxy)phenyl]methyl]-
CAS Number:
89519-00-6
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[[4-(cyclopropylmethoxy)phenyl]methyl]oxirane
InChI:
InChI=1S/C13H16O2/c1-2-11(1)8-14-12-5-3-10(4-6-12)7-13-9-15-13/h3-6,11,13H,1-2,7-9H2
InChI Key:
AOBHIBIRGMJNTB-UHFFFAOYSA-N
SMILES:
C1CC1COc1ccc(cc1)CC1CO1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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