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81065-85-2 | hydroxymethyl oxo(phenyl)acetate
CAS No: 81065-85-2 Catalog No: AG00502Z MDL No:
Product Description
Catalog Number:
AG00502Z
Chemical Name:
hydroxymethyl oxo(phenyl)acetate
CAS Number:
81065-85-2
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
hydroxymethyl 2-oxo-2-phenylacetate
InChI:
InChI=1S/C9H8O4/c10-6-13-9(12)8(11)7-4-2-1-3-5-7/h1-5,10H,6H2
InChI Key:
XZOTYDBWEAKMLT-UHFFFAOYSA-N
SMILES:
OCOC(=O)C(=O)c1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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