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101268-36-4 | Benzoic acid, 4-butoxy-3-ethoxy-
CAS No: 101268-36-4 Catalog No: AG00043S MDL No:MFCD03989636
Product Description
Catalog Number:
AG00043S
Chemical Name:
Benzoic acid, 4-butoxy-3-ethoxy-
CAS Number:
101268-36-4
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD03989636
IUPAC Name:
4-butoxy-3-ethoxybenzoic acid
InChI:
InChI=1S/C13H18O4/c1-3-5-8-17-11-7-6-10(13(14)15)9-12(11)16-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChI Key:
HEEGBVYBSCWQJP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1OCC)C(=O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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