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1708-40-3

1708-40-3 | 2-Phenyl-1,3-dioxan-5-ol

CAS No: 1708-40-3 Catalog No: AG003HUS MDL No:MFCD00047504

Product Description

Catalog Number:
AG003HUS
Chemical Name:
2-Phenyl-1,3-dioxan-5-ol
CAS Number:
1708-40-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00047504
IUPAC Name:
2-phenyl-1,3-dioxan-5-ol
InChI:
InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChI Key:
BWKDAAFSXYPQOS-UHFFFAOYSA-N
SMILES:
OC1COC(OC1)c1ccccc1
EC Number:
216-963-7
NSC Number:
97343

Properties

Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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