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883748-50-3 | Benzoic acid, 3-[(1S)-1-(methoxymethyl)propoxy]-5-(phenylmethoxy)-
CAS No: 883748-50-3 Catalog No: AG004IPL MDL No:
Product Description
Catalog Number:
AG004IPL
Chemical Name:
Benzoic acid, 3-[(1S)-1-(methoxymethyl)propoxy]-5-(phenylmethoxy)-
CAS Number:
883748-50-3
Molecular Formula:
C19H22O5
Molecular Weight:
330.3750
IUPAC Name:
3-[(2S)-1-methoxybutan-2-yl]oxy-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C19H22O5/c1-3-16(13-22-2)24-18-10-15(19(20)21)9-17(11-18)23-12-14-7-5-4-6-8-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)/t16-/m0/s1
InChI Key:
ODRROWDZBTZLKC-INIZCTEOSA-N
SMILES:
COC[C@@H](Oc1cc(OCc2ccccc2)cc(c1)C(=O)O)CC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
330.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.38g/mol
Monoisotopic Mass:
330.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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