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144881-19-6 | 1,3-Propanediol, 2-(1,3-benzodioxol-5-yl)-
CAS No: 144881-19-6 Catalog No: AG001K9T MDL No:MFCD20274940
Product Description
Catalog Number:
AG001K9T
Chemical Name:
1,3-Propanediol, 2-(1,3-benzodioxol-5-yl)-
CAS Number:
144881-19-6
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD20274940
IUPAC Name:
2-(1,3-benzodioxol-5-yl)propane-1,3-diol
InChI:
InChI=1S/C10H12O4/c11-4-8(5-12)7-1-2-9-10(3-7)14-6-13-9/h1-3,8,11-12H,4-6H2
InChI Key:
CKDSCAKQBRZWHH-UHFFFAOYSA-N
SMILES:
OCC(c1ccc2c(c1)OCO2)CO
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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