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116087-10-6 | Phenol, (3-methoxypropyl)- (9CI)
CAS No: 116087-10-6 Catalog No: AG000BLR MDL No:
Product Description
Catalog Number:
AG000BLR
Chemical Name:
Phenol, (3-methoxypropyl)- (9CI)
CAS Number:
116087-10-6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-(3-methoxypropyl)phenol
InChI:
InChI=1S/C10H14O2/c1-12-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChI Key:
ZIZHFHJRQIYLAK-UHFFFAOYSA-N
SMILES:
COCCCc1ccccc1O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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