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13259-29-5 | 1-Propanol, 2-methyl-, sodium salt (1:1)
CAS No: 13259-29-5 Catalog No: AG0010VM MDL No:
Product Description
Catalog Number:
AG0010VM
Chemical Name:
1-Propanol, 2-methyl-, sodium salt (1:1)
CAS Number:
13259-29-5
Molecular Formula:
C4H10NaO
Molecular Weight:
97.1114
IUPAC Name:
sodium;2-methylpropan-1-olate
InChI:
InChI=1S/C4H9O.Na/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChI Key:
JYCDILBEUUCCQD-UHFFFAOYSA-N
SMILES:
OCC(C)C.[Na]
EC Number:
236-254-6
UNII:
TE7M2859VJ
Properties
Complexity:
21.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.055g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.105g/mol
Monoisotopic Mass:
96.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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