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119828-60-3 | Benzoic acid, 4-[(2-methoxyethoxy)methyl]-
CAS No: 119828-60-3 Catalog No: AG000PPU MDL No:MFCD09932129
Product Description
Catalog Number:
AG000PPU
Chemical Name:
Benzoic acid, 4-[(2-methoxyethoxy)methyl]-
CAS Number:
119828-60-3
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD09932129
IUPAC Name:
4-(2-methoxyethoxymethyl)benzoic acid
InChI:
InChI=1S/C11H14O4/c1-14-6-7-15-8-9-2-4-10(5-3-9)11(12)13/h2-5H,6-8H2,1H3,(H,12,13)
InChI Key:
UMFSVBVRJBMMBM-UHFFFAOYSA-N
SMILES:
COCCOCc1ccc(cc1)C(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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