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760947-24-8 | Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester
CAS No: 760947-24-8 Catalog No: AG005G7D MDL No:
Product Description
Catalog Number:
AG005G7D
Chemical Name:
Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester
CAS Number:
760947-24-8
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
tert-butyl 3,4-dihydroxybenzoate
InChI:
InChI=1S/C11H14O4/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6,12-13H,1-3H3
InChI Key:
SKJCXMOGQFVKJJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)O)OC(C)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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