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102162-49-2 | Benzenepropanol, carbonate (2:1)
CAS No: 102162-49-2 Catalog No: AG0006RK MDL No:
Product Description
Catalog Number:
AG0006RK
Chemical Name:
Benzenepropanol, carbonate (2:1)
CAS Number:
102162-49-2
Molecular Formula:
C19H26O5
Molecular Weight:
334.4067
IUPAC Name:
carbonic acid;3-phenylpropan-1-ol
InChI:
InChI=1S/2C9H12O.CH2O3/c2*10-8-4-7-9-5-2-1-3-6-9;2-1(3)4/h2*1-3,5-6,10H,4,7-8H2;(H2,2,3,4)
InChI Key:
BLMWSQBQVQZIGM-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCCCc1ccccc1.OCCCc1ccccc1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
334.412g/mol
Monoisotopic Mass:
334.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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