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22489-76-5 | Benzenepropanal, 4-methoxy-alpha,alpha-dimethyl-
CAS No: 22489-76-5 Catalog No: AG01F9MT MDL No:
Product Description
Catalog Number:
AG01F9MT
Chemical Name:
Benzenepropanal, 4-methoxy-alpha,alpha-dimethyl-
CAS Number:
22489-76-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-(4-methoxyphenyl)-2,2-dimethylpropanal
InChI:
InChI=1S/C12H16O2/c1-12(2,9-13)8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key:
ZIPGUANHDPOQTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C=O)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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