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65678-11-7 | 3-(tert-Butyl)-4-hydroxybenzaldehyde
CAS No: 65678-11-7 Catalog No: AG006PV4 MDL No:MFCD11848619
Product Description
Catalog Number:
AG006PV4
Chemical Name:
3-(tert-Butyl)-4-hydroxybenzaldehyde
CAS Number:
65678-11-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD11848619
IUPAC Name:
3-tert-butyl-4-hydroxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-11(2,3)9-6-8(7-12)4-5-10(9)13/h4-7,13H,1-3H3
InChI Key:
IBZZAKITZYDOFP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(C)(C)C)O
EC Number:
265-871-3
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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