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858131-80-3 | Isopropyl 4-hydroxy-3,5-dimethoxybenzoate
CAS No: 858131-80-3 Catalog No: AG003R4O MDL No:MFCD21641333
Product Description
Catalog Number:
AG003R4O
Chemical Name:
Isopropyl 4-hydroxy-3,5-dimethoxybenzoate
CAS Number:
858131-80-3
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
MDL Number:
MFCD21641333
IUPAC Name:
propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
InChI:
InChI=1S/C12H16O5/c1-7(2)17-12(14)8-5-9(15-3)11(13)10(6-8)16-4/h5-7,13H,1-4H3
InChI Key:
UFDMGVMGWSSNPP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)C(=O)OC(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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