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85960-81-2 | 4-(1-PROPENYL)-PHENOL
CAS No: 85960-81-2 Catalog No: AG004W2C MDL No:
Product Description
Catalog Number:
AG004W2C
Chemical Name:
4-(1-PROPENYL)-PHENOL
CAS Number:
85960-81-2
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
IUPAC Name:
4-prop-1-enylphenol
InChI:
InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3
InChI Key:
UMFCIIBZHQXRCJ-UHFFFAOYSA-N
SMILES:
CC=Cc1ccc(cc1)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Cytotoxic and xenoestrogenic effects via biotransformation of trans-anethole on isolated rat hepatocytes and cultured MCF-7 human breast cancer cells. | Biochemical pharmacology 20030701 |
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