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1481-92-1 | Benzenepropanol, 2-hydroxy-
CAS No: 1481-92-1 Catalog No: AG001FG8 MDL No:
Product Description
Catalog Number:
AG001FG8
Chemical Name:
Benzenepropanol, 2-hydroxy-
CAS Number:
1481-92-1
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
2-(3-hydroxypropyl)phenol
InChI:
InChI=1S/C9H12O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,10-11H,3,5,7H2
InChI Key:
TYNMOIYXEIAPHL-UHFFFAOYSA-N
SMILES:
OCCCc1ccccc1O
NSC Number:
105514
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Complete reduction of 2H-pyran-2-one moiety of coumarin and 6-methyl coumarin by Colletotrichum capsici. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20040101 |
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