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Home > Other Building Blocks > 1321-81-9
1321-81-9 | Phenol, 3-methyl(1-methylethyl)-
CAS No: 1321-81-9 Catalog No: AG00107B MDL No:MFCD16997073
Product Description
Catalog Number:
AG00107B
Chemical Name:
Phenol, 3-methyl(1-methylethyl)-
CAS Number:
1321-81-9
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD16997073
IUPAC Name:
3-methyl-2-propan-2-ylphenol
InChI:
InChI=1S/C10H14O/c1-7(2)10-8(3)5-4-6-9(10)11/h4-7,11H,1-3H3
InChI Key:
AZXBHGKSTNMAMK-UHFFFAOYSA-N
SMILES:
CC(c1c(C)cccc1O)C
UNII:
9T14VIE176
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Transformation and removal of bisphenol A from aqueous phase via peroxidase mediated oxidative coupling reactions: efficacy, products, and pathways. | Environmental science & technology 20050815 |
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