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27701-23-1 | Benzoic acid, 2-(methoxymethoxy)-, methyl ester
CAS No: 27701-23-1 Catalog No: AG002UJI MDL No:
Product Description
Catalog Number:
AG002UJI
Chemical Name:
Benzoic acid, 2-(methoxymethoxy)-, methyl ester
CAS Number:
27701-23-1
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
methyl 2-(methoxymethoxy)benzoate
InChI:
InChI=1S/C10H12O4/c1-12-7-14-9-6-4-3-5-8(9)10(11)13-2/h3-6H,7H2,1-2H3
InChI Key:
UBYWYGVADKPGNR-UHFFFAOYSA-N
SMILES:
COCOc1ccccc1C(=O)OC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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