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1331-83-5 | Benzenemethanol, ar-methoxy-, 1-acetate
CAS No: 1331-83-5 Catalog No: AG0014A7 MDL No:
Product Description
Catalog Number:
AG0014A7
Chemical Name:
Benzenemethanol, ar-methoxy-, 1-acetate
CAS Number:
1331-83-5
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
(2-methoxyphenyl)methyl acetate
InChI:
InChI=1S/C10H12O3/c1-8(11)13-7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
InChI Key:
JALOQIJQRKWTHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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