200,000+ products from a single source!
sales@angenechem.com
137594-42-4 | 2-Pyrenol, 7-(1,1-dimethylethyl)-4,5,9,10-tetrahydro-, 2-acetate
CAS No: 137594-42-4 Catalog No: AG0013LX MDL No:
Product Description
Catalog Number:
AG0013LX
Chemical Name:
2-Pyrenol, 7-(1,1-dimethylethyl)-4,5,9,10-tetrahydro-, 2-acetate
CAS Number:
137594-42-4
Molecular Formula:
C22H24O2
Molecular Weight:
320.4248
IUPAC Name:
acetic acid;7-tert-butyl-4,5,9,10-tetrahydropyren-2-ol
InChI:
InChI=1S/C20H22O.C2H4O2/c1-20(2,3)16-8-12-4-6-14-10-17(21)11-15-7-5-13(9-16)18(12)19(14)15;1-2(3)4/h8-11,21H,4-7H2,1-3H3;1H3,(H,3,4)
InChI Key:
VLWWFACKLAYPAK-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2CCc3c4c2c(c1)CCc4cc(c3)C(C)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.447g/mol
Monoisotopic Mass:
338.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.