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115595-30-7 | Benzoic acid, 4-(8-nonen-1-yloxy)-
CAS No: 115595-30-7 Catalog No: AG000G7Z MDL No:MFCD01814564
Product Description
Catalog Number:
AG000G7Z
Chemical Name:
Benzoic acid, 4-(8-nonen-1-yloxy)-
CAS Number:
115595-30-7
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
MDL Number:
MFCD01814564
IUPAC Name:
4-non-8-enoxybenzoic acid
InChI:
InChI=1S/C16H22O3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h2,9-12H,1,3-8,13H2,(H,17,18)
InChI Key:
MSNHHYMRHTVIPZ-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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