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10051-45-3 | Heptanoic acid, sodium salt (1:1)
CAS No: 10051-45-3 Catalog No: AG00027A MDL No:MFCD00070499
Product Description
Catalog Number:
AG00027A
Chemical Name:
Heptanoic acid, sodium salt (1:1)
CAS Number:
10051-45-3
Molecular Formula:
C7H13NaO2
Molecular Weight:
152.1667
MDL Number:
MFCD00070499
IUPAC Name:
sodium;heptanoate
InChI:
InChI=1S/C7H14O2.Na/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1
InChI Key:
NMTDPTPUELYEPL-UHFFFAOYSA-M
SMILES:
CCCCCCC(=O)[O-].[Na+]
EC Number:
233-180-6
Properties
Complexity:
83.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.081g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.169g/mol
Monoisotopic Mass:
152.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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