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181035-59-6 | 2-ISOPROPYL-4-METHOXYBENZALDEHYDE
CAS No: 181035-59-6 Catalog No: AG01E65Q MDL No:
Product Description
Catalog Number:
AG01E65Q
Chemical Name:
2-ISOPROPYL-4-METHOXYBENZALDEHYDE
CAS Number:
181035-59-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-methoxy-2-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-8(2)11-6-10(13-3)5-4-9(11)7-12/h4-8H,1-3H3
InChI Key:
AGVBYJPOCRTSCS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(C)C)C=O
Properties
Complexity:
166
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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