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Home > Aldehydes > 180740-69-6
180740-69-6 | 1,3-Benzenedicarboxaldehyde, 5-(1,1-dimethylethyl)-
CAS No: 180740-69-6 Catalog No: AG0022AM MDL No:MFCD24674175
Product Description
Catalog Number:
AG0022AM
Chemical Name:
1,3-Benzenedicarboxaldehyde, 5-(1,1-dimethylethyl)-
CAS Number:
180740-69-6
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD24674175
IUPAC Name:
5-tert-butylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C12H14O2/c1-12(2,3)11-5-9(7-13)4-10(6-11)8-14/h4-8H,1-3H3
InChI Key:
JRXODSWLMYYHAT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)cc(c1)C(C)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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