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alginic acid

alginic acid

CAS: 9005-32-7

Formula: C2H6(C12H16O12)n

SMILES: CO[C@H]1[C@H](O)[C@H](O)[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@@H]2C(O)=O)O[C@H]1C(O)=O

IUPAC: alginic acid

InChI: InChI=1S/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9-,10+,11-,14+/m0/s1

Composition: C (43.98%), H (5.80%), O (50.22%)

Molar Mass: N/A

Atom Count: -1

Heavy Atom Count: 0

Properties
Properties
Common Names alginic acid; norgine; ???
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass N/A
Formal Charge 0
FSP3 0.86
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 6
InChIKey XJKJWTWGDGIQRH-BFIDDRIFSA-N
Lipinski's Rule of Five
Molar Refractivity 76.21
Topological Polar Surface Area 192.44
Polarizability 31.98
Ring Count 2
Rotatable Bond Count 5

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