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210057-00-4 | 3,5-Dimethyl-4-propoxybenzaldehyde
CAS No: 210057-00-4 Catalog No: AG01FE94 MDL No:MFCD06247276
Product Description
Catalog Number:
AG01FE94
Chemical Name:
3,5-Dimethyl-4-propoxybenzaldehyde
CAS Number:
210057-00-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD06247276
IUPAC Name:
3,5-dimethyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-4-5-14-12-9(2)6-11(8-13)7-10(12)3/h6-8H,4-5H2,1-3H3
InChI Key:
TUHCHBABZCTPQT-UHFFFAOYSA-N
SMILES:
CCCOc1c(C)cc(cc1C)C=O
Properties
Complexity:
167
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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