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5438-59-5 | 4-(heptyloxy)-3-methoxybenzaldehyde
CAS No: 5438-59-5 Catalog No: AG01B5TD MDL No:MFCD00021082
Product Description
Catalog Number:
AG01B5TD
Chemical Name:
4-(heptyloxy)-3-methoxybenzaldehyde
CAS Number:
5438-59-5
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
MDL Number:
MFCD00021082
IUPAC Name:
4-heptoxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C15H22O3/c1-3-4-5-6-7-10-18-14-9-8-13(12-16)11-15(14)17-2/h8-9,11-12H,3-7,10H2,1-2H3
InChI Key:
ICALILSAQCFUHV-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1OC)C=O
NSC Number:
16716
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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