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131524-42-0 | Benzoic acid, 2-formyl-3-hydroxy-, hexyl ester
CAS No: 131524-42-0 Catalog No: AG000ZBT MDL No:
Product Description
Catalog Number:
AG000ZBT
Chemical Name:
Benzoic acid, 2-formyl-3-hydroxy-, hexyl ester
CAS Number:
131524-42-0
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
hexyl 2-formyl-3-hydroxybenzoate
InChI:
InChI=1S/C14H18O4/c1-2-3-4-5-9-18-14(17)11-7-6-8-13(16)12(11)10-15/h6-8,10,16H,2-5,9H2,1H3
InChI Key:
PIQGZGXYEQYPKR-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1cccc(c1C=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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