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1756-65-6 | Benzenepropanoic acid, β-ethyl-4-methoxy-α-(4-methoxyphenyl)-
CAS No: 1756-65-6 Catalog No: AG00212X MDL No:
Product Description
Catalog Number:
AG00212X
Chemical Name:
Benzenepropanoic acid, β-ethyl-4-methoxy-α-(4-methoxyphenyl)-
CAS Number:
1756-65-6
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
2,3-bis(4-methoxyphenyl)pentanoic acid
InChI:
InChI=1S/C19H22O4/c1-4-17(13-5-9-15(22-2)10-6-13)18(19(20)21)14-7-11-16(23-3)12-8-14/h5-12,17-18H,4H2,1-3H3,(H,20,21)
InChI Key:
BZSHUBXBMWOXAU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(c1ccc(cc1)OC)CC)C(=O)O
NSC Number:
10947
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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