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820237-04-5 | Benzaldehyde,3-methyl-4-(pentyloxy)-
CAS No: 820237-04-5 Catalog No: AG008KCZ MDL No:
Product Description
Catalog Number:
AG008KCZ
Chemical Name:
Benzaldehyde,3-methyl-4-(pentyloxy)-
CAS Number:
820237-04-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3-methyl-4-pentoxybenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-3-4-5-8-15-13-7-6-12(10-14)9-11(13)2/h6-7,9-10H,3-5,8H2,1-2H3
InChI Key:
MQMJJCVBAPLRCX-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1C)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:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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