Name: Name:Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-
Brand: Angene
SKU: AG000JY5
Rating: 90 (10 reviews)

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-

CAS No.:

123013-13-8

Catalog Number:

AG000JY5

Molecular Formula:

C12H16O3

Molecular Weight:

208.2536

Catalog Number:

AG000JY5

Chemical Name:

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-

CAS Number:

123013-13-8

Molecular Formula:

C12H16O3

Molecular Weight:

208.2536

MDL Number:

MFCD17012735

IUPAC Name:

3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde

InChI:

InChI=1S/C12H16O3/c1-12(2,3)10-6-9(15-4)5-8(7-13)11(10)14/h5-7,14H,1-4H3

InChI Key:

BSOBIHUVDDETHG-UHFFFAOYSA-N

SMILES:

COc1cc(C=O)c(c(c1)C(C)(C)C)O

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.257g/mol

Monoisotopic Mass:

208.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2