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1380300-77-5 | 4-[(4-Methoxyphenyl)methyl]oxane-4-carboxylic acid
CAS No: 1380300-77-5 Catalog No: AG01F919 MDL No:
Product Description
Catalog Number:
AG01F919
Chemical Name:
4-[(4-Methoxyphenyl)methyl]oxane-4-carboxylic acid
CAS Number:
1380300-77-5
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
4-[(4-methoxyphenyl)methyl]oxane-4-carboxylic acid
InChI:
InChI=1S/C14H18O4/c1-17-12-4-2-11(3-5-12)10-14(13(15)16)6-8-18-9-7-14/h2-5H,6-10H2,1H3,(H,15,16)
InChI Key:
DKDRUKVCBWPGRX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1(CCOCC1)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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