NSC 37951

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;(4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium

CAS: 7192-49-6

Molecular Formula	`C22H33NO8`
Molecular Weight	439.5 g/mol
Topological Polar Surface Area	172.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	439.2206
Heavy Atoms	31
Complexity	437.0

Chemical Identifiers

CAS Number	7192-49-6
SMILES	`CCCC1=CC(=CC(=C1OCC=C)CCC)C[NH3+].C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O`
InChIKey	`JENJZEFFFPBXOG-UHFFFAOYSA-N`

📖 Product Overview

NSC 37951 (CAS: 7192-49-6) is a chemical compound with molecular formula C22H33NO8 and molecular weight 439.5 g/mol. Its IUPAC systematic name is 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;(4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium. Topological Polar Surface Area 172.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 12 Exact Mass 439.2206 Heavy Atoms 31 Complexity 437.0 InChI Key: JENJZEFFFPBXOG-UHFFFAOYSA-N. SMILES: CCCC1=CC(=CC(=C1OCC=C)CCC)C[NH3+].C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.

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