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1135-38-2 | Butanoic acid, 3-(phenylmethoxy)-
CAS No: 1135-38-2 Catalog No: AG0008SC MDL No:
Product Description
Catalog Number:
AG0008SC
Chemical Name:
Butanoic acid, 3-(phenylmethoxy)-
CAS Number:
1135-38-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-phenylmethoxybutanoic acid
InChI:
InChI=1S/C11H14O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChI Key:
RVRIZGVVPBNJCQ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)OCc1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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