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1218764-74-9 | 1,3-Benzenediol, 4-[3-(2-methoxy-4-methylphenyl)propyl]-
CAS No: 1218764-74-9 Catalog No: AG00166Q MDL No:MFCD18071027
Product Description
Catalog Number:
AG00166Q
Chemical Name:
1,3-Benzenediol, 4-[3-(2-methoxy-4-methylphenyl)propyl]-
CAS Number:
1218764-74-9
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
MDL Number:
MFCD18071027
IUPAC Name:
4-[3-(2-methoxy-4-methylphenyl)propyl]benzene-1,3-diol
InChI:
InChI=1S/C17H20O3/c1-12-6-7-14(17(10-12)20-2)5-3-4-13-8-9-15(18)11-16(13)19/h6-11,18-19H,3-5H2,1-2H3
InChI Key:
CHGZDPJVYBVPEU-UHFFFAOYSA-N
SMILES:
COc1cc(C)ccc1CCCc1ccc(cc1O)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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