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67451-75-6 | Benzaldehyde, 3,6-dihydroxy-2-methoxy-4-propyl-
CAS No: 67451-75-6 Catalog No: AG006H0Y MDL No:
Product Description
Catalog Number:
AG006H0Y
Chemical Name:
Benzaldehyde, 3,6-dihydroxy-2-methoxy-4-propyl-
CAS Number:
67451-75-6
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
3,6-dihydroxy-2-methoxy-4-propylbenzaldehyde
InChI:
InChI=1S/C11H14O4/c1-3-4-7-5-9(13)8(6-12)11(15-2)10(7)14/h5-6,13-14H,3-4H2,1-2H3
InChI Key:
RORMRUPMCRNXEK-UHFFFAOYSA-N
SMILES:
CCCc1cc(O)c(c(c1O)OC)C=O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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