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122-59-8 | Acetic acid, 2-phenoxy-
CAS No: 122-59-8 Catalog No: AG0016J1 MDL No:MFCD00004296
Product Description
Catalog Number:
AG0016J1
Chemical Name:
Acetic acid, 2-phenoxy-
CAS Number:
122-59-8
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00004296
IUPAC Name:
2-phenoxyacetic acid
InChI:
InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChI Key:
LCPDWSOZIOUXRV-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccccc1
EC Number:
204-556-7
UNII:
YRC253429Q
NSC Number:
9810
FEMA Number:
2872
UN Number:
3347
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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