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5421-04-5 | DL-MANDELIC ACID ISOAMYL ESTER
CAS No: 5421-04-5 Catalog No: AG003PU8 MDL No:MFCD00021858
Product Description
Catalog Number:
AG003PU8
Chemical Name:
DL-MANDELIC ACID ISOAMYL ESTER
CAS Number:
5421-04-5
MDL Number:
MFCD00021858
IUPAC Name:
3-methylbutyl 2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChI Key:
KQQXUARABJGCMS-UHFFFAOYSA-N
EC Number:
226-535-1
NSC Number:
6631
Properties
Complexity:
207
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:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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