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179177-73-2 | Hexanoic acid, 3-hydroxy-, phenylmethyl ester
CAS No: 179177-73-2 Catalog No: AG0026TZ MDL No:
Product Description
Catalog Number:
AG0026TZ
Chemical Name:
Hexanoic acid, 3-hydroxy-, phenylmethyl ester
CAS Number:
179177-73-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
benzyl 3-hydroxyhexanoate
InChI:
InChI=1S/C13H18O3/c1-2-6-12(14)9-13(15)16-10-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChI Key:
WGZJLHUFMGYAGA-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)OCc1ccccc1)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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