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146781-28-4 | Benzoic acid, 4-(ethoxymethyl)-
CAS No: 146781-28-4 Catalog No: AG001EBT MDL No:MFCD00228186
Product Description
Catalog Number:
AG001EBT
Chemical Name:
Benzoic acid, 4-(ethoxymethyl)-
CAS Number:
146781-28-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00228186
IUPAC Name:
4-(ethoxymethyl)benzoic acid
InChI:
InChI=1S/C10H12O3/c1-2-13-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
XSNKLGMYKSJLHQ-UHFFFAOYSA-N
SMILES:
CCOCc1ccc(cc1)C(=O)O
NSC Number:
210358
Properties
Complexity:
160
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:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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