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127742-93-2 | Oxirane, 2-[(4-methoxyphenyl)methyl]-, (2S)-
CAS No: 127742-93-2 Catalog No: AG000XDW MDL No:
Product Description
Catalog Number:
AG000XDW
Chemical Name:
Oxirane, 2-[(4-methoxyphenyl)methyl]-, (2S)-
CAS Number:
127742-93-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
2-[(4-methoxyphenyl)methyl]oxirane
InChI:
InChI=1S/C10H12O2/c1-11-9-4-2-8(3-5-9)6-10-7-12-10/h2-5,10H,6-7H2,1H3
InChI Key:
CLOGCPPDCZMWGQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[C@@H]1OC1
Properties
Complexity:
139
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:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Structure-activity studies of the carcinogenicities in the mouse and rat of some naturally occurring and synthetic alkenylbenzene derivatives related to safrole and estragole. | Cancer research 19830301 |
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