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18927-05-4 | Benzeneacetic acid, 3-methoxy-, methyl ester
CAS No: 18927-05-4 Catalog No: AG002I62 MDL No:MFCD00017205
Product Description
Catalog Number:
AG002I62
Chemical Name:
Benzeneacetic acid, 3-methoxy-, methyl ester
CAS Number:
18927-05-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00017205
IUPAC Name:
methyl 2-(3-methoxyphenyl)acetate
InChI:
InChI=1S/C10H12O3/c1-12-9-5-3-4-8(6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
InChI Key:
BSVIOYCZTJRBDB-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)OC
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:
1.8
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