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Home > Aldehydes > 820236-89-3
820236-89-3 | Benzaldehyde, 2,3-dimethyl-4-propoxy-
CAS No: 820236-89-3 Catalog No: AG004Y89 MDL No:
Product Description
Catalog Number:
AG004Y89
Chemical Name:
Benzaldehyde, 2,3-dimethyl-4-propoxy-
CAS Number:
820236-89-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2,3-dimethyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-4-7-14-12-6-5-11(8-13)9(2)10(12)3/h5-6,8H,4,7H2,1-3H3
InChI Key:
HCKJSSLOZNVRGA-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)C)C=O
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:
3
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