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17574-14-0 | Benzenemethanol, 4-(acetyloxy)-3-methoxy-, 1-acetate
CAS No: 17574-14-0 Catalog No: AG00216C MDL No:
Product Description
Catalog Number:
AG00216C
Chemical Name:
Benzenemethanol, 4-(acetyloxy)-3-methoxy-, 1-acetate
CAS Number:
17574-14-0
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
acetic acid;[4-(hydroxymethyl)-2-methoxyphenyl] acetate
InChI:
InChI=1S/C10H12O4.C2H4O2/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2;1-2(3)4/h3-5,11H,6H2,1-2H3;1H3,(H,3,4)
InChI Key:
GOCLMALIOSFACM-UHFFFAOYSA-N
SMILES:
COc1cc(COC(=O)C)ccc1OC(=O)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.254g/mol
Monoisotopic Mass:
256.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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